SCHEMBL503090

SCHEMBL503090

Cc1ccc(-c2cccc(-c3ccc(C)cn3)c2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.63
CYP2A6 P11509 1/20 0.63
CCR1 P32246 1/20 0.62
CCR5 P51681 1/20 0.62
CCR8 P51685 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
KDM1A O60341 1/20 0.49
HSD17B1 P14061 2/20 0.48
HSD17B2 P37059 2/20 0.48
MET P08581 1/20 0.46
METAP2 P50579 2/20 0.46
PIM1 P11309 1/20 0.43
IDO1 P14902 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
GRIA2 P42262 1/20 0.41
GRM5 P41594 1/20 0.41
HPGDS O60760 1/20 0.40

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
SCHEMBL2480995 0.92 CYP3A4 (0.56) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL12797772 0.92 CYP3A4 (0.59) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL17426494 0.91 CYP3A4 (0.54) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL27687343 0.91 CYP3A4 (0.54) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL21022948 0.89 CYP2A6 (0.57) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL13483666 0.89 CCR1 (0.71) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL18174562 0.88 CYP3A4 (0.51) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL17051618 0.88 CYP2A6 (0.58) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL12203428 0.88 HPGDS (0.54) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL23572016 0.87 HSD17B1 (0.69) CYP3A4CYP2A6CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168103-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2021-11-09 US disclosed
US-20190153009-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2019-05-23 US disclosed
US-8293898-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-10-23 US disclosed
US-8293898-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-10-23 US disclosed
US-8293898-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-10-23 US disclosed
US-20120157681-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2012-06-21 US disclosed
US-20120157681-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2012-06-21 US disclosed
US-20120157681-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2012-06-21 US disclosed
US-8106193-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-01-31 US disclosed
US-8106193-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-01-31 US disclosed
US-8106193-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-01-31 US disclosed
US-20100317851-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2010-12-16 US disclosed
US-20100317851-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2010-12-16 US disclosed
US-20100317851-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2010-12-16 US disclosed
EP-2207784-A1 LUMINOPHORES University of York (GB) 2010-07-21 EP disclosed
WO-2009040551-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2009-04-02 WO disclosed
WO-2009040551-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2009-04-02 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 (4 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-20120157681-A1 LUMINOPHORES PPOX, CRY1, MPO CYP3A4 1332/4885CYP2A6 1337/4885CCR1 774/4885
US-20100317851-A1 LUMINOPHORES PPOX, CRY1, MPO CYP3A4 1406/4885CYP2A6 1320/4885CCR1 1388/4885
US-20190153009-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES CHRM4, CHRM1, OPRD1 CYP3A4 287/4885CYP2A6 727/4885CCR1 105/4885
US-11168103-B2 Organic electroluminescent materials and devices OCIAD1, OCIAD2, OR10J3 CYP3A4 823/4885CYP2A6 3287/4885CCR1 1091/4885

“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.