SCHEMBL4749149

SCHEMBL4749149

CCCCCCCCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.51
TSHR P16473 2/20 0.50
THRA P10827 2/20 0.50
MAPT P10636 1/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TP53 P04637 1/20 0.46
LTA4H P09960 1/20 0.46
THRB P10828 1/20 0.46
SMPD1 P17405 2/20 0.46

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
SCHEMBL31498425 1.00 NR5A1 (0.51) NR5A1TSHRTHRAMAPTCA12
SCHEMBL9699146 1.00 NR5A1 (0.51) NR5A1TSHRTHRAMAPTCA12
SCHEMBL4748690 1.00 NR5A1 (0.51) NR5A1TSHRTHRAMAPTCA12
SCHEMBL4745433 1.00 NR5A1 (0.51) NR5A1TSHRTHRAMAPTCA12
SCHEMBL7210942 1.00 NR5A1 (0.51) NR5A1TSHRTHRAMAPTCA12
SCHEMBL4748293 1.00 NR5A1 (0.51) NR5A1TSHRTHRAMAPTCA12
SCHEMBL3731301 0.98 NR5A1 (0.49) NR5A1TSHRTHRAMAPTCA12
SCHEMBL9850682 0.97 NR5A1 (0.49) NR5A1TSHRTHRAMAPTCA12
SCHEMBL1608519 0.95 CA12 (0.50) MAPTCA12CA1CA2CA3
SCHEMBL30334792 0.95 CA12 (0.50) MAPTCA12CA1CA2CA3

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
US-9944666-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2018-04-17 US disclosed
US-20170174710-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2017-06-22 US disclosed
US-8785915-B2 Compound for organic thin film transistor and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-22 US disclosed
US-8785915-B2 Compound for organic thin film transistor and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-22 US disclosed
US-20110210319-A1 COMPOUND FOR ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM TRANSISTOR USING THE SAME COMPOUND FOR ORGANIC THIN FLIM TRANSISTOR AND ORGANIC THAN FLIM TRANSITOR USING THE SAME (JP) 2011-09-01 US disclosed
US-20110210319-A1 COMPOUND FOR ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM TRANSISTOR USING THE SAME COMPOUND FOR ORGANIC THIN FLIM TRANSISTOR AND ORGANIC THAN FLIM TRANSITOR USING THE SAME (JP) 2011-09-01 US disclosed
WO-2008120839-A1 NOVEL ORGANIC SEMICONDUCTOR COMPOUND, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME GYEONGSANG NATIONAL UNIVERSITY INDUSTRIAL AND ACADEMIC COLLABORATION FOUNDATION (KR) 2008-10-09 WO disclosed
US-5630962-A 2-Fluoropyridines, their preparation and their use in liquid crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-20 US disclosed
US-5252253-A Phenyl naphthalenes having liquid crystalline properties THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1993-10-12 US disclosed
EP-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 EP disclosed
EP-0517498-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-09 EP 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 (2 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-20170174710-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 NR5A1 1094/4885TSHR 329/4885THRA 1610/4885
US-20110210319-A1 COMPOUND FOR ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM TRANSISTOR USING THE SAME OR10J3, TCF4, CTCF NR5A1 1751/4885TSHR 454/4885THRA 896/4885

“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.