SCHEMBL18703603

SCHEMBL18703603

Cc1cc(C(C)Oc2ccccc2)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LTB4R Q15722 6/20 0.45
LTB4R2 Q9NPC1 6/20 0.45
ALOX5 P09917 1/20 0.45
FFAR1 O14842 1/20 0.43
IGLV6-57 P01721 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
NR1H4 Q96RI1 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39

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
SCHEMBL14966858 1.00 ALDH1A1 (0.45) ALDH1A1LTB4RLTB4R2ALOX5FFAR1
SCHEMBL19193471 1.00 ALDH1A1 (0.45) ALDH1A1LTB4RLTB4R2ALOX5FFAR1
SCHEMBL14972264 0.87 TSHR (0.48) ALDH1A1LTB4RLTB4R2ALOX5FFAR1
SCHEMBL19194090 0.87 TSHR (0.48) ALDH1A1LTB4RLTB4R2ALOX5FFAR1
SCHEMBL14967139 0.87 TSHR (0.48) ALDH1A1LTB4RLTB4R2ALOX5FFAR1
SCHEMBL14966804 0.84 TSHR (0.45) ALDH1A1LTB4RLTB4R2ALOX5FFAR1
SCHEMBL14966813 0.84 FFAR1 (0.46) ALDH1A1LTB4RLTB4R2ALOX5FFAR1
SCHEMBL10417835 0.81 AKR1C2 (0.51) ALDH1A1KMT2AMEN1RXRARXRB
SCHEMBL14968952 0.80 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1RXRARXRB
SCHEMBL14967524 0.79 KMT2A (0.59) LTB4RLTB4R2ALOX5FFAR1KMT2A

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-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2020-11-19 US disclosed
US-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2020-11-19 US disclosed
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 US disclosed
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 US disclosed
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 US disclosed
WO-2015200650-A9 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2017-04-13 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-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR ALDH1A1 737/4885LTB4R 358/4885LTB4R2 311/4885
US-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR ALDH1A1 737/4885LTB4R 358/4885LTB4R2 311/4885

“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.