SCHEMBL1699532

SCHEMBL1699532

COc1cccc2c1CC(C)CC2=O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.63
CYP19A1 P11511 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
BRD4 O60885 1/20 0.44
AADAT Q8N5Z0 1/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TCF4 P15884 1/20 0.43
CTNNB1 P35222 1/20 0.43
TOP1 P11387 1/20 0.42
CREBBP Q92793 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9520586 0.79 ACHE (0.54) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL30815971 0.79 ACHE (0.44) ACHECYP19A1KDM4EALDH1A1HPGD
SCHEMBL22829411 0.79 ACHE (0.44) ACHECYP19A1KDM4EALDH1A1HPGD
SCHEMBL7606129 0.78 DRD2 (0.57) CYP19A1
SCHEMBL10982867 0.77 ACHE (0.62) ACHEHTR2AHTR2CHTR2BBRD4
SCHEMBL15746282 0.77 ACHE (1.00) ACHECYP19A1HTR2AHTR2CHTR2B
SCHEMBL1699423 0.77 PIM1 (0.43) ACHEBRD4KDM4EALDH1A1HPGD
SCHEMBL165220 0.77 KDM4E (0.61) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL29506042 0.77 KDM4E (0.61) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL31297867 0.74 ACHE (0.70) ACHECYP19A1HTR2AHTR2CHTR2B

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 ACHE 2876/4885CYP19A1 388/4885HTR2A 3523/4885

“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.