SCHEMBL868509

SCHEMBL868509

CCCCCCc1csc(B2OCC(C)(C)CO2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 5/20 0.40
▸ LIPG Q9Y5X9 5/20 0.40
▸ PTGS2 P35354 4/20 0.34
▸ OPRM1 P35372 3/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ ACE2 Q9BYF1 1/20 0.32
▸ ESR1 P03372 2/20 0.31
▸ ADRA2A P08913 2/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ TACR2 P21452 2/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SHBG P04278 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HSPD1 P10809 1/20 0.31
▸ ADRB3 P13945 1/20 0.31

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
SCHEMBL14941616 1.00 LPL (0.40) LPLLIPGPTGS2OPRM1CYP3A4
SCHEMBL27949745 0.85 LPL (0.45) LPLLIPGPTGS2OPRM1
SCHEMBL2989869 0.83 PTGS2 (0.36) LPLLIPGPTGS2CYP3A4ESR1
SCHEMBL15072065 0.82 LPL (0.56) LPLLIPGPTGS2OPRM1CYP3A4
SCHEMBL31516134 0.82 LPL (0.56) LPLLIPGPTGS2OPRM1CYP3A4
SCHEMBL121471 0.82 LPL (0.56) LPLLIPGPTGS2OPRM1CYP3A4
SCHEMBL9891143 0.80 LPL (0.55) LPLLIPGPTGS2OPRM1CYP3A4
SCHEMBL2986912 0.77 SKP2 (0.32) —
SCHEMBL17790460 0.76 PTGS2 (0.37) LPLLIPGPTGS2OPRM1CYP3A4
SCHEMBL12913268 0.76 LPL (0.49) LPLLIPGOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9424998-B2 Dye, photoelectric conversion element using the same, photoelectrochemical cell, and method of producing dye FUJIFILM CORPORATION (JP) 2016-08-23 — — US disclosed
US-8847068-B2 Compositions, methods, and systems comprising poly(thiophenes) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-30 — — US disclosed
US-8779126-B2 Dye, photoelectric conversion element using the same, photoelectrochemical cell, and method of producing dye FUJIFILM CORPORATION (JP) 2014-07-15 — — US disclosed
WO-2012044778-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-04-05 — — WO disclosed
US-20120073662-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-29 — — US disclosed
US-20110213144-A1 DYE, PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME, PHOTOELECTROCHEMICAL CELL, AND METHOD OF PRODUCING DYE FUJIFILM CORPORATION (JP) 2011-09-01 — — 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-20110213144-A1 DYE, PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME, PHOTOELECTROCHEMICAL CELL, AND METHOD OF PRODUCING DYE CYBA, SCN3A, CRY1 LPL 4739/4885LIPG 3178/4885PTGS2 3217/4885

“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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