SCHEMBL16838788

SCHEMBL16838788

COc1ccc(Oc2ccc(C3CC3)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ BRCA1 P38398 1/20 0.44
▸ HBB P68871 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TRPC6 Q9Y210 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ HAO1 Q9UJM8 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41
▸ PTGS1 P23219 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
SCHEMBL16838785 0.90 HAO1 (0.49) NPBWR1MCHR1KDM4EMEN1KMT2A
SCHEMBL16023895 0.84 HAO1 (0.42) KDM4EMEN1KMT2AALDH1A1RAB9A
SCHEMBL167849 0.83 TRPV6 (0.46) PTGS1PTGS2KDM1AMAOAMAOB
SCHEMBL16838909 0.82 HAO1 (0.47) NPBWR1MCHR1TRPC6RAB9ANPC1
SCHEMBL16761850 0.80 ALDH1A1 (0.56) KDM4EMEN1KMT2AALDH1A1RAB9A
SCHEMBL26022605 0.77 HAO1 (0.46) NPBWR1MCHR1KDM4EMEN1KMT2A
SCHEMBL20924260 0.77 RXFP1 (0.51) MEN1KMT2ARAB9ANPC1RXFP1
SCHEMBL16023927 0.77 PTGS1 (0.41) KDM4EMEN1KMT2ARAB9AHAO1
SCHEMBL1515026 0.76 DRD2 (0.59) NPBWR1MCHR1MEN1KMT2AALDH1A1
SCHEMBL16475192 0.76 PDGFRB (0.47) KDM4EKMT2AHTTHAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 NPBWR1 897/4885MCHR1 2694/4885KDM4E 23/4885

“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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