SCHEMBL121813

SCHEMBL121813

Cc1cccc(-c2cccc(C(=O)O)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.68
DHODH Q02127 2/20 0.68
RXRA P19793 2/20 0.59
RXRB P28702 2/20 0.59
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
CNR2 P34972 2/20 0.54
CNR1 P21554 1/20 0.54
IP6K1 Q92551 1/20 0.54
IP6K3 Q96PC2 1/20 0.54
IP6K2 Q9UHH9 1/20 0.54
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
PARP1 P09874 1/20 0.52
KEAP1 Q14145 1/20 0.51

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
Benzoic Acid SCHEMBL28361078 0.90 KMO (0.66) KMODHODHRXRARXRBCNR2
SCHEMBL8444347 0.90 KMO (0.66) KMODHODHRXRARXRBLMNA
SCHEMBL29382709 0.87 PARP1 (0.65) KMOGAAPARP1
SCHEMBL142937 0.87 PARP1 (0.65) KMOGAAPARP1
SCHEMBL14406 0.87 PARP1 (0.65) KMOGAAPARP1
SCHEMBL29904709 0.87 KMO (0.86) KMORXRARXRBLMNAGAA
SCHEMBL30725957 0.87 KMO (0.86) KMORXRARXRBLMNAGAA
SCHEMBL71238 0.87 KMO (0.86) KMORXRARXRBLMNAGAA
SCHEMBL31331712 0.86 RXRA (0.69) KMODHODHRXRARXRB
SCHEMBL2610268 0.86 RXRA (0.69) KMODHODHRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910316-B1 SUBSTITUTED TRIAZOLE DERIVATIVES AND THEIR USE AS NEUROKININ 3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-11-10 EP claimed
EP-1910316-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND THEIR USE AS NEUROKININ 3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-16 EP claimed
US-7268154-B2 Substituted triazole compounds HOFFMAN-LA ROCHE INC. (US) 2007-09-11 US claimed
JP-2007519744-A 2007-07-19 JP claimed
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US claimed
WO-2007012579-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND THEIR USE AS NEUROKININ 3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 WO claimed
US-20070021475-A1 Substituted triazole derivatives HOFFMANN-LA ROCHE INC. 2007-01-25 US claimed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP claimed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO claimed
US-20230195003-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJIFILM BUSINESS INNOVATION CORP. (JP) 2023-06-22 US disclosed
US-11214564-B2 Compounds with thymine skeleton for use in medicine Technische Universität Dresden (DE) 2022-01-04 US disclosed
US-11214564-B2 Compounds with thymine skeleton for use in medicine Technische Universität Dresden (DE) 2022-01-04 US disclosed
US-20210139521-A1 DIARYL TREHALOSE COMPOUNDS AND USES THEREOF THE UNIV OF MONTANA (US) 2021-05-13 US disclosed
EP-3819006-A1 COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-12 EP disclosed
EP-0794789-A4 INHIBITORS OF PRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-05-26 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
EP-0794789-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-09-17 EP disclosed
WO-1996021456-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1996-07-18 WO disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 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-20070021475-A1 Substituted triazole derivatives GPR3, GRIN3A, GRIK3 KMO 202/4885DHODH 3301/4885RXRA 744/4885
US-11214564-B2 Compounds with thymine skeleton for use in medicine TMSB10, TMSB4X, TBCA KMO 4330/4885DHODH 1982/4885RXRA 2730/4885
US-20210139521-A1 DIARYL TREHALOSE COMPOUNDS AND USES THEREOF TREH, STT3B, DDOST KMO 4115/4885DHODH 662/4885RXRA 4655/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS KMO 1212/4885DHODH 3226/4885RXRA 4775/4885

“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.