SCHEMBL1699658

SCHEMBL1699658

CCOC(=O)C(OC(C)(C)C)c1c(C)cc2ccccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
KDM4E B2RXH2 5/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CDC25B P30305 3/20 0.38
CCR6 P51684 1/20 0.37
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
PIN1 Q13526 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.36
CDC25A P30304 1/20 0.36
CDC25C P30307 1/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 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
SCHEMBL15099654 0.87 KDM4E (0.35) ADORA3KDM4EKMT2AMAPK1L3MBTL1
SCHEMBL10271689 0.87 KDM4E (0.39) ADORA3KDM4EKMT2AMAPK1L3MBTL1
SCHEMBL16657252 0.85 ADORA3 (0.39) ADORA3KDM4EKMT2AL3MBTL1CDC25B
SCHEMBL1699637 0.85 ALDH1A1 (0.37) KDM4EKMT2AALDH1A1HPGDGAA
SCHEMBL15099653 0.85 TBK1 (0.38) ADORA3L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL15099740 0.85 ALDH1A1 (0.36) KDM4EKMT2AALDH1A1HPGDGAA
SCHEMBL15099685 0.82 ADORA3 (0.37) ADORA3KDM4EKMT2AMAPK1L3MBTL1
SCHEMBL1699748 0.82 ADORA3 (0.47) ADORA3KDM4EKMT2AMAPK1L3MBTL1
SCHEMBL10271691 0.81 CYP3A4 (0.39) KDM4EKMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL1699706 0.80 HSD17B10 (0.35) ADORA3KDM4EKMT2AMAPK1L3MBTL1

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 18 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-9284323-B2 Naphthalene acetic acid derivatives against HIV infection GILEAD SCIENCES, INC. (US) 2016-03-15 US disclosed
US-9284323-B2 Naphthalene acetic acid derivatives against HIV infection GILEAD SCIENCES, INC. (US) 2016-03-15 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-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 US disclosed
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 US disclosed
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 US disclosed
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 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
WO-2013103738-A1 NAPTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-07-11 WO disclosed
WO-2013103738-A1 NAPTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-07-11 WO 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 (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-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION NFATC1, ACIN1, NAAA ADORA3 182/4885KDM4E 2881/4885KMT2A 2999/4885
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 ADORA3 415/4885KDM4E 2251/4885KMT2A 375/4885

“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.