SCHEMBL14701519

SCHEMBL14701519

CCCCCCC1(O)c2nc(c(-c3cccc(OC)c3)c3ccc([nH]3)c(-c3cccc(C)c3)c3nc(c(-c4cccc(C)c4)c4ccc([nH]4)c2-c2cccc(C)c2)C=C3)C1(O)CCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.36
▸ FPR1 P21462 2/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ APLNR P35414 2/20 0.34
▸ CYCS P99999 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL17166280 1.00 GCGR (0.40) GCGRTLR8FPR1ABCG2CNR1
SCHEMBL17166508 0.95 GCGR (0.41) GCGRTLR8FPR1ABCG2CNR1
SCHEMBL14703879 0.95 GCGR (0.41) GCGRTLR8FPR1ABCG2CNR1
SCHEMBL14701517 0.84 KDM4E (0.39) ABCG2CYCSNPC1RAB9ATDP1
SCHEMBL14701520 0.83 GCGR (0.38) GCGRCYCS
SCHEMBL14701527 0.83 GCGR (0.38) GCGRCYCS
SCHEMBL19058790 0.83 GCGR (0.38) GCGRCYCS
SCHEMBL14701518 0.81 ABCG2 (0.36) ABCG2CYCSNPC1RAB9ATDP1
SCHEMBL14701515 0.81 ORAI1 (0.38) ABCG2CYCSNPC1RAB9ATDP1
SCHEMBL17681579 0.79 GCGR (0.51) GCGRTLR8FPR1ABCG2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130041307-A1 APPLICATION OF BETA-FUNCTIONALIZED DIHYDROXY-CHLORINS FOR PDT CERAMOPTEC INDUSTRIES, INC. 2013-02-14 — — 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-20130041307-A1 APPLICATION OF BETA-FUNCTIONALIZED DIHYDROXY-CHLORINS FOR PDT TK1, DHPS, DLD GCGR 4601/4885TLR8 85/4885FPR1 2468/4885

“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.

Send feedback