SCHEMBL21296916

SCHEMBL21296916

Oc1cccc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 10/20 0.62
HSD17B2 P37059 9/20 0.62
CYP3A4 P08684 3/20 0.62
CYP2C9 P11712 2/20 0.62
TSHR P16473 1/20 0.56
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2B6 P20813 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALOX5 P09917 1/20 0.50
CNR1 P21554 1/20 0.49
ABL1 P00519 1/20 0.48
ABCB1 P08183 1/20 0.48
BCR P11274 1/20 0.48
CA12 O43570 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL31544769 1.00 HSD17B1 (0.62) HSD17B1HSD17B2CYP3A4CYP2C9TSHR
SCHEMBL1029061 0.88 TSHR (0.73) HSD17B1HSD17B2CYP3A4CYP2C9TSHR
SCHEMBL23808908 0.86 HSD17B1 (0.52) HSD17B1HSD17B2CYP3A4CYP2C9TSHR
SCHEMBL31054285 0.83 HSD17B1 (0.79) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL25561343 0.83 HSD17B1 (0.79) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL1959838 0.83 RXRA (0.59) CYP3A4CYP2C9TSHRRXRARXRB
SCHEMBL69369 0.83 HSD17B1 (0.88) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL29551999 0.83 HSD17B1 (0.88) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL1028579 0.82 HSD17B1 (0.77) HSD17B1HSD17B2CYP3A4CYP2C9TSHR
SCHEMBL5037644 0.81 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11389456-B2 Compounds and methods for treating oxalate-related diseases OXALURX, INC. (US) 2022-07-19 US disclosed
CN-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 CN disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
WO-2019165159-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. (US) 2019-08-29 WO disclosed
CN-105555761-B Biphenyl derivatives and process for preparing the same 东亚ST 株式会社 2018-12-11 CN 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-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, LOX HSD17B1 553/4885HSD17B2 821/4885CYP3A4 2004/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX HSD17B1 553/4885HSD17B2 821/4885CYP3A4 2004/4885

“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.