SCHEMBL13814902

SCHEMBL13814902

CC#Cc1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.60
RARG P13631 2/20 0.60
TSHR P16473 3/20 0.55
TP53 P04637 1/20 0.55
PTPN11 Q06124 1/20 0.52
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP1B1 Q16678 1/20 0.50
CYP26A1 O43174 1/20 0.49
CYP3A4 P08684 1/20 0.49
RARA P10276 1/20 0.49
CRABP2 P29373 1/20 0.49
SRD5A2 P31213 2/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
ACACB O00763 1/20 0.46

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
SCHEMBL20022590 0.98 RARB (0.63) RARBRARGTSHRTP53PTPN11
SCHEMBL15014360 0.94 CYP1A1 (0.61) RARBRARGTSHRTP53PTPN11
SCHEMBL29789030 0.85 RARB (0.69) RARBRARGTSHRTP53PTPN11
SCHEMBL69572 0.85 RARB (0.69) RARBRARGTSHRTP53PTPN11
Hydrochloric Acid SCHEMBL5666955 0.83 RARB (0.67) RARBRARGTSHRTP53PTPN11
SCHEMBL10001336 0.82 ACACB (0.47) RARBRARGALDH1A1SMN1; SMN2CYP1A1
SCHEMBL2679567 0.81 TSHR (0.60) RARBRARGTSHRTP53PTPN11
SCHEMBL19174304 0.80 CYP1A1 (0.43) RARBRARGPTPN11ALDH1A1SMN1; SMN2
SCHEMBL3863011 0.80 PARP10 (0.47) RARBRARGTSHRALDH1A1CYP1A1
SCHEMBL254959 0.80 APP (0.61) RARBRARGTSHRTP53PTPN11

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787824-B2 Titanium heterometallic metal-organic solids, method for obtaining them and their uses UNIVERSITAT DE VALÈNCIA (ES) 2023-10-17 US disclosed
US-20230171975-A1 PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTRIC CONVERSION MODULE, ELECTRONIC DEVICE, AND PARTITION RICOH COMPANY, LTD., (JP) 2023-06-01 US disclosed
US-20230134849-A1 PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTRIC CONVERSION MODULE, AND ELECTRONIC DEVICE RICOH COMPANY, LTD. (JP) 2023-05-04 US disclosed
US-20230139502-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS X-BIOTIX THERAPEUTICS, INC. 2023-05-04 US disclosed
US-10118169-B2 Chiral ligand-based metal-organic frameworks for broad-scope asymmetric catalysis THE UNIVERSITY OF CHICAGO (US) 2018-11-06 US disclosed
WO-2017223349-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2017-12-28 WO disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 US disclosed
US-9663454-B2 3-aryl propiolonitrile compounds for thiol labeling UNIVERSITE DE STRASBOURG (FR) 2017-05-30 US disclosed
WO-2009077186-A1 NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESLLSCHAFT (DE) 2009-06-25 WO disclosed
EP-2070909-A1 Non-steroidal progesterone receptor modulators Bayer Schering Pharma AG (DE) 2009-06-17 EP disclosed
WO-2009007396-A1 NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 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-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY RARB 327/4885RARG 710/4885TSHR 2334/4885
US-20230139502-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS AADAC, AZI2, CBX7 RARB 2108/4885RARG 2123/4885TSHR 3250/4885
US-10118169-B2 Chiral ligand-based metal-organic frameworks for broad-scope asymmetric catalysis POF1B, FGFR1, COASY RARB 327/4885RARG 710/4885TSHR 2334/4885
US-11787824-B2 Titanium heterometallic metal-organic solids, method for obtaining them and their uses FTO, TDO2, PICALM RARB 4370/4885RARG 3768/4885TSHR 2653/4885

“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.