SCHEMBL7210942

SCHEMBL7210942

CCCCCCCOc1ccc2cc(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
SCHEMBL9699146 1.00 NR5A1 (0.51) NR5A1TSHRTHRAMAPTCA12
SCHEMBL4748293 1.00 NR5A1 (0.51) NR5A1TSHRTHRAMAPTCA12
SCHEMBL4748690 1.00 NR5A1 (0.51) NR5A1TSHRTHRAMAPTCA12
SCHEMBL31498425 1.00 NR5A1 (0.51) NR5A1TSHRTHRAMAPTCA12
SCHEMBL4749149 1.00 NR5A1 (0.51) NR5A1TSHRTHRAMAPTCA12
SCHEMBL4745433 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 20 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-9944666-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2018-04-17 — — US disclosed
US-9944666-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2018-04-17 — — US disclosed
EP-2877180-B1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2018-01-03 — — EP disclosed
US-20170174710-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2017-06-22 — — 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-20170174710-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2017-06-22 — — US disclosed
US-9550798-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2017-01-24 — — US disclosed
US-9550798-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2017-01-24 — — US disclosed
US-9550798-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2017-01-24 — — US disclosed
US-20150203515-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA, INC. 2015-07-23 — — US disclosed
US-20150203515-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA, INC. 2015-07-23 — — US disclosed
US-20150203515-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA, INC. 2015-07-23 — — US disclosed
EP-2877180-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS Biogen Idec MA Inc. (US) 2015-06-03 — — EP disclosed
WO-2014018891-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-01-30 — — WO disclosed
WO-2014018891-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-01-30 — — WO disclosed
EP-0857728-B1 Photocrosslinkable silane derivatives ROLIC AG (CH) 2003-03-05 — — EP disclosed
US-6277502-B1 ORGANOSILICON POLYMERS; LIQUID CRYSALS ROLIC AG (CH) 2001-08-21 — — US disclosed
EP-0857728-A2 Photocrosslinkable silane derivatives Rolic AG (CH) 1998-08-12 — — 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-20150203515-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 NR5A1 1577/4885TSHR 216/4885THRA 1099/4885

“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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