SCHEMBL10272167

SCHEMBL10272167

CCC1CC=C(c2c([C@H](OC(C)(C)C)C(=O)O)c(C)cc3ccccc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.36
CYP3A4 P08684 2/20 0.36
TRPV1 Q8NER1 1/20 0.32
NR1I2 O75469 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30

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
SCHEMBL15165116 0.93 NPC1 (0.31) CYP3A4TRPV1NPC1ALDH1A1TSHR
SCHEMBL1699276 0.88 PSIP1 (0.38) PSIP1CYP3A4NR1I2
SCHEMBL1699456 0.82 PSIP1 (0.42) PSIP1CYP3A4NR1I2
SCHEMBL1699326 0.81 PSIP1 (0.43) PSIP1CYP3A4NR1I2
SCHEMBL1699366 0.81 PSIP1 (0.43) PSIP1CYP3A4NR1I2
SCHEMBL15165141 0.80 CYP3A4 (0.31) PSIP1CYP3A4
SCHEMBL10272171 0.80 PSIP1 (0.43) PSIP1CYP3A4NR1I2
SCHEMBL1699362 0.79 PSIP1 (0.38) PSIP1CYP3A4
SCHEMBL10272002 0.79 PSIP1 (0.38) PSIP1CYP3A4NR1I2
SCHEMBL1701182 0.79 PSIP1 (0.38) PSIP1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PSIP1 3788/4885CYP3A4 2058/4885TRPV1 2062/4885

“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.