SCHEMBL9967766

SCHEMBL9967766

CC(C)/C=C/c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP1B1 Q16678 2/20 0.49
▸ HCAR2 Q8TDS4 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ PTGS1 P23219 4/20 0.44
▸ ALOX5 P09917 3/20 0.44
▸ PTGS2 P35354 3/20 0.44
▸ LMNA P02545 2/20 0.42
▸ ABCB11 O95342 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1245197 0.83 HCAR2 (0.48) CYP1A1CYP1A2CYP1B1HCAR2SMN1; SMN2
SCHEMBL1245195 0.83 HCAR2 (0.48) CYP1A1CYP1A2CYP1B1HCAR2SMN1; SMN2
SCHEMBL18799897 0.83 HCAR2 (0.44) CYP1A1CYP1A2CYP1B1HCAR2SMN1; SMN2
SCHEMBL23999236 0.79 SMN1; SMN2 (0.44) CYP1A1CYP1A2CYP1B1HCAR2SMN1; SMN2
SCHEMBL3089611 0.78 HCAR2 (0.60) CYP1A1CYP1A2CYP1B1HCAR2SMN1; SMN2
SCHEMBL12018827 0.78 HCAR2 (0.60) CYP1A1CYP1A2CYP1B1HCAR2SMN1; SMN2
SCHEMBL1801877 0.78 HCAR2 (0.60) CYP1A1CYP1A2CYP1B1HCAR2SMN1; SMN2
SCHEMBL23999237 0.77 TAS1R3 (0.51) CYP1A1CYP1A2CYP1B1HCAR2SMN1; SMN2
SCHEMBL31736350 0.76 HCAR2 (0.58) CYP1A1CYP1A2CYP1B1HCAR2SMN1; SMN2
SCHEMBL21654340 0.75 KCNH2 (0.38) CYP1A2SMN1; SMN2LMNAALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 — — US disclosed
US-11178871-B2 Herbicidal pyrimidine compounds BASF SE (DE) 2021-11-23 — — US disclosed
US-20210253561-A1 SELECTIVE LIGANDS FOR MODULATION OF GIRK CHANNELS NORTHEASTERN UNIVERSITY 2021-08-19 — — US disclosed
US-20190269133-A1 Herbicidal Pyrimidine Compounds BASF SE (DE) 2019-09-05 — — US disclosed
US-10370340-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 — — US disclosed
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2019-05-30 — — US disclosed
WO-2018019574-A1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2018-02-01 — — WO disclosed
US-20180009793-A1 METHODS AND COMPOSITIONS OF SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY ANGION BIOMEDICA CORP (US) 2018-01-11 — — US disclosed
US-9663471-B2 Pyrazole derivatives as modulators of hepatocyte growth factor (scatter factor) activity ANGION BIOMEDICA CORPORATION (US) 2017-05-30 — — US disclosed
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-05-04 — — US disclosed
US-20100256117-A1 HEPATOCYTE GROWTH FACTOR PATHWAY ACTIVATORS IN FIBROTIC CONNECTIVE TISSUE DISEASES ANGION BIOMEDICA CORP. 2010-10-07 — — US disclosed
US-20100048664-A1 THERAPEUTIC SUBSTITUTED PYRROLES ALLERGAN, INC. (US) 2010-02-25 — — US disclosed
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION JANSSEN-CILAG (FR) 2010-02-11 — — US disclosed
US-20080015243-A1 Small molecule modulators of hepatocyte growth factor (scatter factor) activity ANGION BIOMEDICA CORP. 2008-01-17 — — US disclosed
US-7265112-B2 Small molecule modulators of hepatocyte growth factor (scatter factor) activity ANGION BIOMEDICA CORP. (US) 2007-09-04 — — US disclosed
US-7250437-B2 Small molecule modulators of hepatocyte growth factor (scatter factor) activity ANGION BIOMEDICA CORP. (US) 2007-07-31 — — US disclosed
US-7196095-B2 (Pyrimidinyl) (phenyl) substituted fused heteroaryl p38 inhibiting and PKG kinase inhibiting compounds MERCK & CO., INC. (US) 2007-03-27 — — US disclosed
US-7196095-B2 (Pyrimidinyl) (phenyl) substituted fused heteroaryl p38 inhibiting and PKG kinase inhibiting compounds MERCK & CO., INC. (US) 2007-03-27 — — US disclosed
US-7192976-B2 3-substituted pyrazoles; cell proliferation and angiogenesis promoters; antiapoptotosis and antifibrosis activity ANGION BIOMEDICA CORPORATION (US) 2007-03-20 — — US disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 CYP1A1 510/4885CYP1A2 830/4885CYP1B1 609/4885
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection ADORA2B, CYP1B1, DPYD CYP1A1 52/4885CYP1A2 67/4885CYP1B1 2/4885
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R CYP1A1 1827/4885CYP1A2 2106/4885CYP1B1 2720/4885
US-20080015243-A1 Small molecule modulators of hepatocyte growth factor (scatter factor) activity HGF, HDGF, MET CYP1A1 3105/4885CYP1A2 2754/4885CYP1B1 2099/4885
US-20100256117-A1 HEPATOCYTE GROWTH FACTOR PATHWAY ACTIVATORS IN FIBROTIC CONNECTIVE TISSUE DISEASES HGF, HDGF, HGFAC CYP1A1 4326/4885CYP1A2 3785/4885CYP1B1 3966/4885
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION NOX3, CBR3, CBR1 CYP1A1 95/4885CYP1A2 218/4885CYP1B1 107/4885
US-20210253561-A1 SELECTIVE LIGANDS FOR MODULATION OF GIRK CHANNELS GRIK4, GRIK2, GRIK1 CYP1A1 4671/4885CYP1A2 4577/4885CYP1B1 4633/4885
US-20190269133-A1 Herbicidal Pyrimidine Compounds DPYD, TYMP, DHFR CYP1A1 355/4885CYP1A2 283/4885CYP1B1 132/4885
US-20180009793-A1 METHODS AND COMPOSITIONS OF SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY HGF, HDGF, HGFAC CYP1A1 2591/4885CYP1A2 2570/4885CYP1B1 2090/4885
US-11178871-B2 Herbicidal pyrimidine compounds DPYD, TYMP, TYMS CYP1A1 412/4885CYP1A2 358/4885CYP1B1 154/4885
US-10370340-B2 HIV replication inhibiting pyrimidines RRM2B, CCNO, RRM2 CYP1A1 510/4885CYP1A2 830/4885CYP1B1 609/4885
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS DPYD, TYMP, TYMS CYP1A1 412/4885CYP1A2 358/4885CYP1B1 154/4885
US-20100048664-A1 THERAPEUTIC SUBSTITUTED PYRROLES GOT2, FARS2, THPO CYP1A1 2954/4885CYP1A2 2450/4885CYP1B1 3254/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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