SCHEMBL256772

SCHEMBL256772

CCOc1cccc(C)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.47
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PABPC1 P11940 1/20 0.42
GRK6 P43250 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL16955625 0.84 HTR1B (0.43) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL19541455 0.83 HTR1B (0.38) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL14289248 0.83 L3MBTL1 (0.41) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL13712797 0.82 CYP1A2 (0.50) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL29366998 0.81 L3MBTL1 (0.58) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL1242347 0.81 L3MBTL1 (0.58) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL28049884 0.81 L3MBTL1 (0.58) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL24947656 0.81 CYP1A2 (0.38) TDP1CYP1A2CYP2D6KMT2AMEN1
SCHEMBL28296673 0.80 PTPN1 (0.49) L3MBTL1TDP1CYP1A2ALDH1A1MAPT
SCHEMBL17274997 0.80 MCHR1 (0.47) L3MBTL1TDP1CYP1A2CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2017-11-02 US disclosed
US-9783481-B2 Carbonyl derivative, liquid crystal composition containing compound thereof and liquid crystal display device JNC CORPORATION (JP) 2017-10-10 US disclosed
US-9758474-B2 Immunomodulator and anti-inflammatory compounds INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-09-12 US disclosed
US-9758474-B2 Immunomodulator and anti-inflammatory compounds INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-09-12 US disclosed
US-20170233655-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-08-17 US disclosed
US-9523036-B2 Phenolic compound having carbonyl as neighboring group and application thereof JNC CORPORATION (JP) 2016-12-20 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20150218452-A1 CARBONYL DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING COMPOUND THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-08-06 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS RHIZEN PHARMACEUTICALS SA (FR) 2011-11-10 US disclosed
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS RHIZEN PHARMACEUTICALS SA (FR) 2011-11-10 US disclosed
WO-2011138665-A1 NOVEL IMMUNOMODULATOR AND ANTI INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-11-10 WO disclosed
WO-2011059021-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-19 WO disclosed
US-20100022542-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. 2010-01-28 US disclosed
US-7582665-B2 Heterocyclic sulfur compounds and/or prodrugs administered for prophylaxis of thrombocytopenia, anemia or blood disorders SHIONOGI & CO., LTD. (JP) 2009-09-01 US disclosed
US-7582665-B2 Heterocyclic sulfur compounds and/or prodrugs administered for prophylaxis of thrombocytopenia, anemia or blood disorders SHIONOGI & CO., LTD. (JP) 2009-09-01 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP 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 (4 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-20150218452-A1 CARBONYL DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING COMPOUND THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE RCC2, RCC1, ROCK2 L3MBTL1 1361/4885TDP1 2891/4885CYP1A2 631/4885
US-20100022542-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM THPO, MPL, TEK L3MBTL1 811/4885TDP1 2020/4885CYP1A2 510/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR L3MBTL1 4504/4885TDP1 1810/4885CYP1A2 1449/4885
US-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF IL2, IL1B, IL5 L3MBTL1 4878/4885TDP1 3045/4885CYP1A2 40/4885

“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.