SCHEMBL2290396

SCHEMBL2290396

CCC(C(=O)O)C(=O)c1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
LDHA P00338 1/20 0.56
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
GSK3B P49841 1/20 0.53
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL5217775 0.93 GSK3B (0.56) ALDH1A1CYP1A2LDHACA1CA2
SCHEMBL11522245 0.85 KDM4E (0.61) ALDH1A1CYP1A2LDHA
SCHEMBL23295612 0.85 HDAC3 (0.50) ALDH1A1CYP1A2CA1CA2GSK3B
SCHEMBL28548638 0.84 NPC1 (0.52) ALDH1A1CYP1A2CES2CES1MAPT
SCHEMBL14435692 0.83 LDHA (0.50) ALDH1A1CYP1A2LDHACA1CA2
SCHEMBL28635043 0.83 ALDH1A1 (0.43) ALDH1A1CYP1A2LDHAPARP10POLB
SCHEMBL7100665 0.82 ALDH1A1 (0.63) ALDH1A1CYP1A2CA1CA2GSK3B
SCHEMBL5215355 0.82 MAPT (0.52) ALDH1A1CYP1A2CES2CES1POLB
SCHEMBL7639644 0.81 HTT (0.58) ALDH1A1CYP1A2CA1CA2GSK3B
SCHEMBL27885703 0.81 ALDH1A1 (0.55) ALDH1A1CYP1A2LDHACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964985-B2 Anti-cancer compounds targeting Ral GTPases and methods of using the same The Regents of the University of Colorado, a body corporate. (US) 2024-04-23 US disclosed
US-11472812-B2 Anti-cancer compounds targeting Ral GTPases and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2022-10-18 US disclosed
US-RE48557-E1 Anti-cancer compounds targeting Ral GTPases and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-05-18 US disclosed
US-20200270263-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-08-27 US disclosed
US-20200255442-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-08-13 US disclosed
EP-3686202-A1 6-AMINO-1,3-DIMETHYL-4-(4-(TRIFLUOROMETHYL)PHENYL)-1,4-DIHYDROPYRANO [2,3-C]PYRAZOLE-5-CARBONITRILE AND RELATED COMPOUNDS AS RAL GTPASE INHIBITORS FOR TREATING CANCER METASTASIS The Regents of the University of Colorado, a body corporate (US) 2020-07-29 EP disclosed
US-10689392-B2 Anti-cancer compounds targeting ral GTPases and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-06-23 US disclosed
US-10676480-B2 Anti-cancer compounds targeting Ral GTPases and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-06-09 US disclosed
EP-3166609-B1 6-AMINO-1,3-DIMETHYL-4-(4-(TRIFLUOROMETHYL)PHENYL)-1,4-DIHYDROPYRANO [2,3-C]PYRAZOLE-5-CARBONITRILE AND RELATED COMPOUNDS AS RAL GTPASE INHIBITORS FOR TREATING CANCER METASTASIS UNIV COLORADO REGENTS (US) 2020-03-11 EP disclosed
US-10490748-B2 Rectifying element, method for producing same, and wireless communication device TORAY INDUSTRIES, INC. (JP) 2019-11-26 US disclosed
US-6946481-B1 Endothelin antagonists ABBOTT LABORATORIES (US) 2005-09-20 US disclosed
EP-1119567-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-04 EP disclosed
EP-1170629-B1 Silver halide multilayer color photographic material FERRANIA SPA (IT) 2004-12-01 EP disclosed
US-20020031735-A1 Silver halide multilaye color photographic material FERRANIA, S.P.A., 2002-03-14 US disclosed
EP-1170629-A2 Silver halide multilayer color photographic material FERRANIA S.p.A. (IT) 2002-01-09 EP disclosed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP disclosed
EP-1003740-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGOISTS Abbott Laboratories (US) 2000-05-31 EP disclosed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 WO disclosed
WO-1999006397-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1999-02-11 WO disclosed
US-5731434-A CARDIOVASCULAR DISORDERS ABBOTT LABORATORIES (US) 1998-03-24 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 (6 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-11964985-B2 Anti-cancer compounds targeting Ral GTPases and methods of using the same ARFGAP1, ARHGDIB, IQGAP1 ALDH1A1 3045/4885CYP1A2 4837/4885LDHA 3626/4885
US-20200255442-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME ARFGAP1, ARHGDIB, RALA ALDH1A1 3496/4885CYP1A2 4854/4885LDHA 3415/4885
US-10689392-B2 Anti-cancer compounds targeting ral GTPases and methods of using the same ARFGAP1, ARHGDIB, IQGAP1 ALDH1A1 3045/4885CYP1A2 4837/4885LDHA 3626/4885
US-20200270263-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME ARFGAP1, ARHGDIB, IQGAP1 ALDH1A1 3045/4885CYP1A2 4837/4885LDHA 3626/4885
US-10676480-B2 Anti-cancer compounds targeting Ral GTPases and methods of using the same ARFGAP1, ARHGDIB, RALA ALDH1A1 3496/4885CYP1A2 4854/4885LDHA 3415/4885
US-11472812-B2 Anti-cancer compounds targeting Ral GTPases and methods of using the same ARFGAP1, ARHGDIB, RALA ALDH1A1 3496/4885CYP1A2 4854/4885LDHA 3415/4885

“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.