SCHEMBL1701440

SCHEMBL1701440

CCOC(=O)C(O)c1c(C)cc2cc(-c3ccc(Cl)cc3)ccc2c1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALPL P05186 1/20 0.36
TARBP2 Q15633 1/20 0.36
ALOX5 P09917 3/20 0.36
KMT2A Q03164 2/20 0.36
PTGES O14684 1/20 0.36
MEN1 O00255 1/20 0.36
FPR1 P21462 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CYP1A2 P05177 1/20 0.35
XBP1 P17861 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL15165286 0.92 MAPT (0.39) ALDH1A1MAPTLMNATDP1TP53
SCHEMBL1699400 0.89 KDM4E (0.41) ALDH1A1MAPTLMNATDP1HPGD
SCHEMBL1699649 0.87 PTGDR2 (0.43) ALDH1A1MAPTLMNATDP1TP53
SCHEMBL1699351 0.83 LMNA (0.38) ALDH1A1MAPTLMNATP53MDM2
SCHEMBL15099648 0.83 HTT (0.39) ALDH1A1MAPTLMNATDP1TP53
SCHEMBL1699639 0.83 HTT (0.39) ALDH1A1MAPTLMNATDP1TP53
SCHEMBL10272102 0.83 PTGDR2 (0.37) ALDH1A1MAPTLMNATDP1HPGD
SCHEMBL15165288 0.79 GCGR (0.39) ALDH1A1MAPTLMNATDP1HPGD
SCHEMBL1699420 0.78 MTNR1B (0.38) ALDH1A1MAPTLMNATDP1TP53
SCHEMBL1701370 0.78 CSF1R (0.41) ALDH1A1MAPTLMNATDP1TP53

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 ALDH1A1 528/4885MAPT 280/4885LMNA 710/4885

“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.