SCHEMBL12700259

SCHEMBL12700259

O=C(Cc1ccccc1C(=O)O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.56
TSHR P16473 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
ALDH1A1 P00352 3/20 0.50
BCAT2 O15382 1/20 0.50
HPGD P15428 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
PTGER4 P35408 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL25148983 0.90 CYP2C9 (0.65) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18132381 0.82 RORC (0.52) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7097847 0.80 EPHX2 (0.76) CA12CA2CA9ALDH1A1HPGD
SCHEMBL7825184 0.80 RAB9A (0.55) ALDH1A1BCAT2HPGDMEN1KMT2A
SCHEMBL27719643 0.79 CYP1A2 (0.59) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28343747 0.76 ALDH1A1 (0.48) HIF1ATSHRCA12CA2CA9
SCHEMBL12231121 0.75 BCAT2 (0.62) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22196106 0.75 KMT2A (0.78) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL25148938 0.75 HIF1A (0.66) HIF1ATSHRCYP1A2CYP2D6CYP2C9
SCHEMBL3569832 0.75 KMT2A (0.56) HIF1ATSHRCYP2C9ALDH1A1BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10166237-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-01 US disclosed
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 US disclosed
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 US disclosed
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 US disclosed
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 US disclosed
WO-2012129562-A2 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-09-27 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-10166237-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, BMP2 HIF1A 144/4885TSHR 4580/4885CYP1A2 3254/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 HIF1A 144/4885TSHR 4580/4885CYP1A2 3254/4885

“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.