SCHEMBL1699736

SCHEMBL1699736

CCOC(=O)C(OCc1ccc(OC)cc1)c1c(C)cc2cc(OC)ccc2c1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.41
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP19A1 P11511 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
CNR1 P21554 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR2 P34972 1/20 0.36
KMT2A Q03164 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
SCHEMBL1699415 0.90 PTGDR2 (0.41) PTPN11KDM4EALOX15PTGDR2MAPT
SCHEMBL1699300 0.85 CYP3A4 (0.39) PTPN11KDM4EPOLBGAACYP19A1
SCHEMBL1699377 0.85 PTPN11 (0.37) PTPN11KDM4EALOX15PPARGPPARA
SCHEMBL1699312 0.84 ALOX15 (0.39) PTPN11ALOX15MEN1KMT2AGABRA2
SCHEMBL1699400 0.83 KDM4E (0.41) PTPN11KDM4EPOLBGAACYP19A1
SCHEMBL1699478 0.79 CCR2 (0.39) POLBALOX15MEN1KMT2AGABRA2
SCHEMBL1699600 0.77 MEN1 (0.40) ALOX15MEN1MAPTCNR1CNR2
SCHEMBL1699428 0.76 MAPT (0.39) KDM4EPOLBMEN1MAPTKMT2A
SCHEMBL1699544 0.76 CYP3A4 (0.48) KDM4ECYP19A1MEN1CYP1A2CYP3A4
SCHEMBL15165174 0.76 CYP3A4 (0.40) KDM4EPOLBGAAALOX15CYP19A1

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 9 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-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 PTPN11 2711/4885KDM4E 2251/4885POLB 1157/4885

“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.