SCHEMBL3865144

SCHEMBL3865144

CCNCCCCC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.62
▸ CYP1A2 P05177 2/20 0.56
▸ SAT1 P21673 1/20 0.48
▸ CYP2C19 P33261 2/20 0.46
▸ MEN1 O00255 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ KDM1A O60341 3/20 0.39
▸ TNKS2 Q9H2K2 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
SCHEMBL23810261 0.98 SIGMAR1 (0.59) SIGMAR1CYP1A2SAT1CYP2C19MEN1
SCHEMBL19508398 0.94 CYP1A2 (0.58) SIGMAR1CYP1A2SAT1CYP2C19MEN1
SCHEMBL8396180 0.94 CYP1A2 (0.58) SIGMAR1CYP1A2SAT1CYP2C19MEN1
SCHEMBL23675585 0.94 CYP1A2 (0.58) SIGMAR1CYP1A2SAT1CYP2C19MEN1
SCHEMBL23235475 0.88 CYP1A2 (0.52) SIGMAR1CYP1A2SAT1CYP2C19MEN1
SCHEMBL8392349 0.87 SAT1 (0.52) SIGMAR1CYP1A2SAT1CYP2C19MEN1
SCHEMBL23099440 0.87 SAT1 (0.57) SIGMAR1CYP1A2SAT1CYP2C19MEN1
SCHEMBL7937894 0.86 CYP1A2 (0.65) SIGMAR1CYP1A2SAT1TSHR
SCHEMBL27435880 0.86 SIGMAR1 (0.51) SIGMAR1CYP1A2SAT1TSHR
SCHEMBL1483921 0.85 CYP1A2 (0.50) SIGMAR1CYP1A2SAT1CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010042500-A2 HEAT SHOCK PROTEIN 90 INHIBITORS, METHODS OF PREPARING SAME, AND METHODS FOR THEIR USE EMORY UNIVERSITY (US) 2010-04-15 — — WO disclosed
EP-1851190-A4 COMPOSITIONS AND METHODS FOR INHIBITING PAIN UNIV FLORIDA (US) 2009-04-08 — — EP disclosed
EP-1851190-A1 COMPOSITIONS AND METHODS FOR INHIBITING PAIN University of Florida (US) 2007-11-07 — — EP disclosed
WO-2006078239-A1 COMPOSITIONS AND METHODS FOR INHIBITING PAIN UNIVERSITY OF FLORIDA (US) 2006-07-27 — — WO disclosed
US-20060160905-A1 Compositions and methods for inhibiting pain UNIVERSITY OF FLORIDA 2006-07-20 — — 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-20060160905-A1 Compositions and methods for inhibiting pain OPRM1, OPRL1, OPRK1 SIGMAR1 4/4885CYP1A2 1444/4885SAT1 469/4885

“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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