SCHEMBL1610592

SCHEMBL1610592

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
UCHL3 P15374 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
FKBP1A P62942 1/20 0.38
PYCR1 P32322 1/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
DHFR P00374 1/20 0.36
MAOB P27338 1/20 0.36
HTR2A P28223 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL1610650 0.94 IDO1 (0.44) IDO1RAB9ANPC1SMN1; SMN2UCHL3
SCHEMBL1611827 0.92 IDO1 (0.42) IDO1RAB9ANPC1SMN1; SMN2UCHL3
SCHEMBL1609901 0.92 IDO1 (0.42) IDO1RAB9ANPC1SMN1; SMN2UCHL3
SCHEMBL1611430 0.92 IDO1 (0.42) IDO1RAB9ANPC1SMN1; SMN2UCHL3
SCHEMBL1610104 0.86 IDO1 (0.48) IDO1RAB9ANPC1SMN1; SMN2UCHL3
SCHEMBL1610653 0.82 NPC1 (0.38) RAB9ANPC1ALDH1A1PKMHTR2A
SCHEMBL10729588 0.81 IDO1 (0.56) IDO1RAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL8090819 0.80 UCHL3 (0.56) IDO1RAB9ANPC1SMN1; SMN2UCHL3
SCHEMBL24074493 0.78 IDO1 (0.45) IDO1RAB9ANPC1SMN1; SMN2UCHL3
SCHEMBL11745515 0.78 CYP4A11 (0.47) IDO1RAB9ANPC1SMN1; SMN2UCHL3

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 4 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
CN-1354750-A Amine derivatives compounds SANKYO CO (JP) 2002-06-19 CN disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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 IDO1 174/4885RAB9A 3050/4885NPC1 3543/4885

“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.