SCHEMBL1699417

SCHEMBL1699417

Cc1cc2ccccc2c(-c2ccc(Cl)cc2Cl)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.45
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
DPP4 P27487 2/20 0.41
GUSB P08236 1/20 0.38
GRM2 Q14416 1/20 0.38
HSD11B1 P28845 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
TNKS O95271 1/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
HIF1A Q16665 1/20 0.36

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
SCHEMBL10271797 0.79 CRHR1 (0.42) CRHR1KDM4EMAPK1DPP4GUSB
SCHEMBL31277250 0.79 LMNA (0.52) LMNAHTTCYP1A2HIF1AHSD17B10
SCHEMBL3262903 0.79 LMNA (0.52) LMNAHTTCYP1A2HIF1AHSD17B10
SCHEMBL9618848 0.78 LMNA (0.50) LMNAHTTCYP2C19CYP1A2CYP2D6
SCHEMBL10271796 0.78 GPR84 (0.40) CRHR1KDM4EMAPK1DPP4GUSB
SCHEMBL30535784 0.76 PTGS1 (0.46) KDM4ELMNAHTTGPR84CYP1A2
SCHEMBL31318250 0.75 CYP1A2 (0.52) KDM4ELMNAHTTGPR84CYP1A2
SCHEMBL14413583 0.73 LMNA (0.50) KDM4ELMNAHTTCYP1A2HSD17B10
SCHEMBL10272100 0.72 CRHR1 (0.36) CRHR1KDM4EMAPK1DPP4GPR84
SCHEMBL1699322 0.72 LMNA (0.48) LMNAHTTCYP2C19CYP1A2CYP2D6

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
EP-2588450-B1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES INC (US) 2017-05-24 EP disclosed
EP-2588450-B1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES INC (US) 2017-05-24 EP disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 US disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 US disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
EP-2588450-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 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 (1 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-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 CRHR1 1460/4885KDM4E 2251/4885MAPK1 449/4885

“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.