SCHEMBL1610653

SCHEMBL1610653

[CH2]CCCc1ccc(C(C)CC)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C9 P11712 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR2A P28223 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1611061 0.94 HTR2A (0.39) NPC1RAB9AALDH1A1TSHRCYP2C9
SCHEMBL1609940 0.93 HTR2A (0.41) NPC1RAB9AALDH1A1TSHRCYP2C9
SCHEMBL1610997 0.93 HTR2A (0.41) NPC1RAB9AALDH1A1TSHRCYP2C9
SCHEMBL1612445 0.93 HTR2A (0.41) NPC1RAB9AALDH1A1TSHRCYP2C9
SCHEMBL1611359 0.88 ALDH1A1 (0.40) NPC1RAB9AALDH1A1TSHRCYP2C9
SCHEMBL10977710 0.84 CA2 (0.47) NPC1RAB9AALDH1A1ESR1HPGD
SCHEMBL9838746 0.83 ESR1 (0.45) NPC1RAB9AALDH1A1TSHRCYP2C9
SCHEMBL1610592 0.82 IDO1 (0.45) NPC1RAB9AALDH1A1PKMHTR2A
SCHEMBL24021959 0.81 HTR2A (0.56) ALDH1A1TSHRESR1HSD17B10HTR2A
SCHEMBL13500507 0.81 CYP4A11 (0.43) NPC1RAB9AALDH1A1TSHRCYP2C9

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-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 NPC1 3543/4885RAB9A 3050/4885ALDH1A1 137/4885

“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.