SCHEMBL822797

SCHEMBL822797

Cc1cccc(C(=O)OCOC(=O)c2cccc(C)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
ADRB2 P07550 2/20 0.56
ADRB1 P08588 2/20 0.56
ADRB3 P13945 2/20 0.56
PARP1 P09874 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 1/20 0.51
PKM P14618 1/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL19354448 0.89 ADRB2 (0.53) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL24847366 0.89 NPC1 (0.49) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL570920 0.89 TDP1 (0.60) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL9044225 0.89 L3MBTL1 (0.61) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL29360475 0.89 TDP1 (0.60) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL23817378 0.88 ALDH1A1 (0.52) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL27980680 0.87 NPC1 (0.56) NPC1RAB9AADRB2ADRB1ADRB3
Ammonia Solution, Strong SCHEMBL27753074 0.87 TDP1 (0.59) NPC1RAB9AADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL28864124 0.87 L3MBTL1 (0.59) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL6972310 0.85 NPC1 (0.55) NPC1RAB9AADRB2ADRB1ADRB3

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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 NPC1 552/4885RAB9A 310/4885ADRB2 1377/4885

“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.