SCHEMBL9937809

SCHEMBL9937809

Cc1cc(B(O)O)cc(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.64
HCAR1 Q9BXC0 1/20 0.55
HCAR2 Q8TDS4 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 1/20 0.41
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
SRD5A2 P31213 1/20 0.38
TTR P02766 1/20 0.38
NOTUM Q6P988 1/20 0.38
NR4A1 P22736 1/20 0.37

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
SCHEMBL918608 0.84 CA12 (0.46) TPMTALDH1A1SMN1; SMN2CA2CA12
SCHEMBL6733033 0.84 CA1 (0.46) TPMTHCAR1ALDH1A1SMN1; SMN2CA2
SCHEMBL221684 0.79 TPMT (1.00) TPMTHCAR1HCAR2RXRARXRB
SCHEMBL40661 0.79 TPMT (0.89) TPMTHCAR1HCAR2RXRARXRB
SCHEMBL2720953 0.79 CNR2 (0.49) ALDH1A1CNR2CA2CA12CA1
SCHEMBL6916035 0.77 TPMT (0.94) TPMTHCAR1HCAR2RXRARXRB
SCHEMBL6918621 0.77 TPMT (0.94) TPMTHCAR1HCAR2RXRARXRB
Hydrochloric Acid SCHEMBL9622124 0.77 TPMT (0.84) TPMTHCAR1HCAR2RXRARXRB
SCHEMBL6914123 0.77 TPMT (0.94) TPMTHCAR1HCAR2RXRARXRB
SCHEMBL6918090 0.77 TPMT (0.94) TPMTHCAR1HCAR2RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111146496-B Polymer electrolyte and lithium ion battery containing same 珠海冠宇电池股份有限公司 2021-07-13 CN claimed
CN-111146496-A Polymer electrolyte and lithium ion battery containing same 珠海冠宇电池有限公司 2020-05-12 CN claimed
CN-120058751-A Pleuromutilin derivative with arylboronic acid or arylboronic acid ester fragment, and preparation method and application thereof 中国医学科学院药物研究所 2025-05-30 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-111146496-B Polymer electrolyte and lithium ion battery containing same 珠海冠宇电池股份有限公司 2021-07-13 CN disclosed
CN-111146496-A Polymer electrolyte and lithium ion battery containing same 珠海冠宇电池有限公司 2020-05-12 CN disclosed
US-20160237067-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 US disclosed
EP-2651917-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
US-20130266590-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-10-10 US disclosed
WO-2012080260-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 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 (2 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-20130266590-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 TPMT 3827/4885HCAR1 3217/4885HCAR2 3443/4885
US-20160237067-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT TPMT 130/4885HCAR1 1146/4885HCAR2 904/4885

“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.