SCHEMBL5594015

SCHEMBL5594015

[CH2]COCCCCc1ccco1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
USP2 O75604 2/20 0.54
HPGD P15428 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
SIGMAR1 Q99720 2/20 0.38
CHRM2 P08172 1/20 0.37
MAPK1 P28482 2/20 0.36
GAA P10253 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL20956691 0.90 ALDH1A1 (0.55) ALDH1A1USP2HPGDTDP1CYP3A4
SCHEMBL27209689 0.84 ALDH1A1 (0.52) ALDH1A1USP2HPGDTDP1CYP3A4
SCHEMBL5133905 0.84 ALDH1A1 (0.49) ALDH1A1USP2HPGDTDP1CYP3A4
SCHEMBL2097623 0.83 ALDH1A1 (0.56) ALDH1A1USP2HPGDTDP1CYP3A4
SCHEMBL7094868 0.82 ALDH1A1 (0.67) ALDH1A1USP2HPGDTDP1CYP3A4
SCHEMBL2094639 0.81 ALDH1A1 (0.50) ALDH1A1USP2HPGDTDP1CYP3A4
SCHEMBL9509561 0.81 ALDH1A1 (0.50) ALDH1A1USP2HPGDTDP1CYP3A4
SCHEMBL9508696 0.81 ALDH1A1 (0.50) ALDH1A1USP2HPGDTDP1CYP3A4
SCHEMBL7093157 0.80 ALDH1A1 (0.70) ALDH1A1USP2HPGDTDP1CYP3A4
SCHEMBL2097627 0.79 ALDH1A1 (0.51) ALDH1A1USP2HPGDTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220770-B2 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2007-05-22 US claimed
US-20050256120-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2005-11-17 US claimed
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation G.D. SEARLE & CO. 2005-05-05 US claimed
US-6613789-B2 Especially for treating arthritis, pain and fever G. D. SEARLE & CO. 2003-09-02 US claimed
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation G.D. SEARLE & CO. 2003-02-20 US claimed
EP-0880504-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-12-02 EP claimed
WO-1997027181-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-07-31 WO claimed
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP claimed
US-5616601-A 1,2-aryl and heteroaryl substituted imidazolyl compounds for the treatment of inflammation GD SEARLE & CO (US) 1997-04-01 US claimed
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO claimed
US-7220770-B2 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2007-05-22 US disclosed
US-20050256120-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2005-11-17 US disclosed
US-6960611-B2 Sulfonyl-containing 2,3-diarylindole compounds, methods for making same, and methods of use thereof INSTITUTE OF MATERIA MEDICA (CN) 2005-11-01 US disclosed
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation G.D. SEARLE & CO. 2005-05-05 US disclosed
US-20040058977-A1 Sulfonyl-containing 2,3-diarylindole compounds, methods for making same, and methods of use thereof INSTITUTE OF MATERIA MEDIC, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2004-03-25 US disclosed
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
US-5620999-A ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT G.D. SEARLE & CO. 1997-04-15 US disclosed
US-5616601-A 1,2-aryl and heteroaryl substituted imidazolyl compounds for the treatment of inflammation GD SEARLE & CO (US) 1997-04-01 US disclosed
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO 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-20050256120-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation LTC4S, HRH4, LTB4R2 ALDH1A1 2389/4885USP2 3861/4885HPGD 630/4885
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HCK, IL4I1, AHR ALDH1A1 2050/4885USP2 3712/4885HPGD 720/4885
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HRH4, LTC4S, HCAR3 ALDH1A1 2392/4885USP2 3890/4885HPGD 698/4885
US-20040058977-A1 Sulfonyl-containing 2,3-diarylindole compounds, methods for making same, and methods of use thereof PTGS2, PTGES2, PTGER2 ALDH1A1 667/4885USP2 409/4885HPGD 49/4885

“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.