SCHEMBL15740654

SCHEMBL15740654

CCCCCCCCOc1cccc(-c2cccnc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
TSHR P16473 1/20 0.54
CYP1A2 P05177 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
NPC1 O15118 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
S1PR1 P21453 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL12436809 0.90 CYP19A1 (0.63) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL17142884 0.86 TSHR (0.69) CYP19A1CYP2C9CYP2C19TSHRCYP1A2
SCHEMBL17143201 0.86 TSHR (0.69) CYP19A1CYP2C9CYP2C19TSHRCYP1A2
SCHEMBL2151432 0.86 TSHR (0.69) CYP19A1CYP2C9CYP2C19TSHRCYP1A2
SCHEMBL25176182 0.85 CYP3A4 (0.61) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL9435138 0.85 CYP2D6 (0.91) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL9650521 0.85 CYP2D6 (0.91) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL15740967 0.85 CYP2D6 (0.91) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL30434302 0.85 CYP3A4 (0.61) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL13527207 0.84 CYP2D6 (0.94) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850206-B2 S1P and/or ATX modulating agents BIOGEN MA INC. (US) 2017-12-26 US disclosed
US-9850206-B2 S1P and/or ATX modulating agents BIOGEN MA INC. (US) 2017-12-26 US disclosed
EP-2925721-B1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-06-07 EP disclosed
EP-2925721-B1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-06-07 EP disclosed
EP-2925721-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2015-10-07 EP disclosed
US-20150274663-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2015-10-01 US disclosed
US-20150274663-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2015-10-01 US disclosed
WO-2014081752-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-05-30 WO disclosed
WO-2014081752-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-05-30 WO 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-20150274663-A1 S1P AND/OR ATX MODULATING AGENTS LPAR3, S1PR3, S1PR1 CYP19A1 3722/4885CYP2C9 3692/4885CYP2C19 4300/4885

“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.