SCHEMBL8737899

SCHEMBL8737899

CCC(C)(C)c1ccc2c(c1)OCCO2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.45
CTNNB1 P35222 1/20 0.43
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TRPV1 Q8NER1 3/20 0.41
CNR2 P34972 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL13368545 0.93 NPC1 (0.39) ATMCTNNB1HPGDPOLBGAA
SCHEMBL18543043 0.91 LMNA (0.52) ATMCTNNB1GAALMNANPC1
SCHEMBL8738575 0.89 MAPT (0.42) ATMHPGDGAALMNANPC1
SCHEMBL18649325 0.86 HPGD (0.44) ATMCTNNB1HPGDPOLBGAA
SCHEMBL23344687 0.85 LMNA (0.46) ATMCTNNB1GAALMNANPC1
SCHEMBL13621280 0.85 ATM (0.45) ATMCTNNB1HPGDPOLBGAA
SCHEMBL22763282 0.82 CMA1 (0.42) ATMPOLBGAANPC1MAPK1
SCHEMBL13657391 0.81 KDM4E (0.46) ATMLMNANPC1MAPK1CASP3
SCHEMBL26078414 0.81 CHRM2 (0.40) ATMLMNANPC1MAPK1CASP3
SCHEMBL84835 0.80 TRPV1 (0.49) MAPK1RAB9ASMN1; SMN2TRPV1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807614-B1 Method for making substituted furan compound embodiments and derivatives thereof TRIAD NATIONAL SECURITY, LLC (US) 2023-11-07 US disclosed
US-20230318040-A1 ALUMINUM-ETHER-BASED COMPOSITION FOR BATTERIES AND AMBIENT TEMPERATURE ALUMINUM DEPOSITION BATTELLE MEMORIAL INSTITUTE (US) 2023-10-05 US disclosed
US-20230303577-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE ST. JOHN'S CANCER INSTITUTE (US) 2023-09-28 US disclosed
US-11739178-B2 Nanohoop-functionalized polymer embodiments and methods of making and using the same UNIVERSITY OF OREGON (US) 2023-08-29 US disclosed
US-11708377-B2 Analogues and derivatives of cephalotaxine and methods for making and using the compounds OREGON STATE UNIVERSITY (US) 2023-07-25 US disclosed
US-11680152-B2 Recyclable polymers from environmentally benign building blocks TRIAD NATIONAL SECURITY, LLC (US) 2023-06-20 US disclosed
US-20220176337-A1 SYSTEM AND METHOD USING PHOTOCHEMICAL OXYGEN STORAGE AND RELEASE PORTLAND STATE UNIVERSITY (US) 2022-06-09 US disclosed
US-11345950-B2 Probe for selectively characterizing enzymes involved in xenobiotic metabolism and method of making and using the same BATTELLE MEMORIAL INSTITUTE (US) 2022-05-31 US disclosed
US-20220152065-A1 METHOD OF BLOCKING OR AMELIORATING CYTOKINE RELEASE SYNDROME RIGEL PHARMACEUTICALS, INC. (US) 2022-05-19 US disclosed
US-11332451-B2 RIP1 inhibitory compounds and methods for making and using the same RIGEL PHARMACEUTICALS, INC. (GA) 2022-05-17 US disclosed
US-9611276-B2 Imidazo bicyclic iminium compounds as antitumor agents THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-04-04 US disclosed
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
US-8318755-B2 Inhibitors of SYK and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
US-8268992-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20110257157-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110112098-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-05-12 US disclosed
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-02-17 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 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 (10 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-11345950-B2 Probe for selectively characterizing enzymes involved in xenobiotic metabolism and method of making and using the same CYP2E1, CYP1A1, CYP7A1 ATM 4592/4885CTNNB1 3141/4885HPGD 419/4885
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 ATM 377/4885CTNNB1 2640/4885HPGD 3007/4885
US-20110257157-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 ATM 1919/4885CTNNB1 1310/4885HPGD 2669/4885
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS OXA1L, XDH, UBE2D3 ATM 3315/4885CTNNB1 3490/4885HPGD 631/4885
US-20220152065-A1 METHOD OF BLOCKING OR AMELIORATING CYTOKINE RELEASE SYNDROME TSLP, IL1B, IL6 ATM 1734/4885CTNNB1 2921/4885HPGD 1652/4885
US-20230303577-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE MGMT, TOP2B, IDH3B ATM 249/4885CTNNB1 2903/4885HPGD 805/4885
US-11332451-B2 RIP1 inhibitory compounds and methods for making and using the same RIPK1, RIPK2, RIPK3 ATM 1440/4885CTNNB1 4534/4885HPGD 3518/4885
US-11708377-B2 Analogues and derivatives of cephalotaxine and methods for making and using the compounds SLC6A2, NAPRT, SLC6A3 ATM 4443/4885CTNNB1 3209/4885HPGD 348/4885
US-11807614-B1 Method for making substituted furan compound embodiments and derivatives thereof FDPS, FLAD1, BLVRB ATM 4303/4885CTNNB1 2255/4885HPGD 879/4885
US-20110112098-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES SYK, BTK, TYRO3 ATM 930/4885CTNNB1 3854/4885HPGD 2544/4885

“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.