SCHEMBL13534917

SCHEMBL13534917

CSc1cc(C)c(OCC(=O)O)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ MCL1 Q07820 1/20 0.42
▸ CD69 Q07108 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PTPRB P23467 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PPARD Q03181 4/20 0.40
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL10729144 0.82 CD69 (0.41) ALDH1A1POLBCD69HPGDHSD17B10
SCHEMBL2059355 0.81 CSNK2A2 (0.49) ALDH1A1MCL1CD69HPGDPTPRB
SCHEMBL2058911 0.79 THRA (0.47) ALDH1A1POLBMCL1CD69HPGD
SCHEMBL13305753 0.78 PPARD (0.59) PPARD
SCHEMBL3201351 0.78 KMT2A (0.55) ALDH1A1POLBMCL1CD69HPGD
SCHEMBL11570516 0.78 KDM4E (0.55) MCL1HPGDKDM4EPKMHTT
SCHEMBL2059557 0.78 AGBL2 (0.46) MCL1CD69HPGDPTPRBHSD17B10
SCHEMBL8240454 0.78 MCL1 (0.45) MCL1CD69HPGDPTPRBHSD17B10
SCHEMBL14931907 0.78 MCL1 (0.45) MCL1CD69HPGDPTPRBHSD17B10
SCHEMBL1933960 0.77 S1PR1 (0.45) ALDH1A1POLBKDM4EKMT2APPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 — — US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 — — US 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 ALDH1A1 3337/4885POLB 446/4885MCL1 1381/4885

“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.

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