SCHEMBL1699748

SCHEMBL1699748

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIN1 Q13526 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
CDC25B P30305 1/20 0.40
GAA P10253 1/20 0.39
CCR6 P51684 1/20 0.38
MEN1 O00255 1/20 0.38
HCRTR1 O43613 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL27572668 0.85 ALDH1A1 (0.44) ADORA3KDM4EKMT2AMAPK1L3MBTL1
SCHEMBL15093506 0.84 SMN1; SMN2 (0.39) ADORA3KDM4EKMT2AMAPK1L3MBTL1
SCHEMBL15093584 0.83 TRPM4 (0.47) ADORA3KDM4EKMT2AMAPK1L3MBTL1
SCHEMBL1699653 0.82 ALOX15 (0.41) ADORA3KDM4EKMT2AALDH1A1HPGD
SCHEMBL15093489 0.82 ALDH1A1 (0.39) ADORA3L3MBTL1ALDH1A1GAAMAPT
SCHEMBL16657255 0.82 ALDH1A1 (0.39) ADORA3L3MBTL1ALDH1A1GAAMAPT
SCHEMBL15093746 0.82 ALDH1A1 (0.41) ADORA3L3MBTL1ALDH1A1GAAMAPT
SCHEMBL15093684 0.82 ADORA3 (0.51) ADORA3KDM4EKMT2AL3MBTL1PIN1
SCHEMBL1699658 0.82 ADORA3 (0.42) ADORA3KDM4EKMT2AMAPK1L3MBTL1
SCHEMBL15093335 0.81 ADORA3 (0.50) ADORA3KDM4EKMT2AL3MBTL1PIN1

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.