SCHEMBL1610035

SCHEMBL1610035

[CH2]CCCCCc1cccc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
IDO1 P14902 2/20 0.48
HRH3 Q9Y5N1 1/20 0.46
NAAA Q02083 1/20 0.45
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DAO P14920 2/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
MAOB P27338 1/20 0.41
ACHE P22303 1/20 0.41
FDPS P14324 1/20 0.40
SLC5A2 P31639 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
SCHEMBL1610691 1.00 TAAR1 (0.55) TAAR1IDO1HRH3NAAAHDAC3
SCHEMBL1610915 1.00 TAAR1 (0.55) TAAR1IDO1HRH3NAAAHDAC3
SCHEMBL1609608 0.98 TAAR1 (0.57) TAAR1IDO1HRH3NAAAMEN1
SCHEMBL1610002 0.92 TAAR1 (0.59) TAAR1IDO1HRH3DAOMAOB
SCHEMBL8094389 0.90 TAAR1 (0.65) TAAR1IDO1HRH3NAAAHDAC3
SCHEMBL8093918 0.90 TAAR1 (0.65) TAAR1IDO1HRH3NAAAHDAC3
SCHEMBL8092438 0.90 TAAR1 (0.65) TAAR1IDO1HRH3NAAAHDAC3
SCHEMBL8095693 0.90 TAAR1 (0.65) TAAR1IDO1HRH3NAAAHDAC3
SCHEMBL8086943 0.90 TAAR1 (0.65) TAAR1IDO1HRH3NAAAHDAC3
SCHEMBL8102622 0.90 TAAR1 (0.65) TAAR1IDO1HRH3NAAAHDAC3

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 6 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
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
CN-1293674-A Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2001-05-02 CN disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO 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 TAAR1 772/4885IDO1 174/4885HRH3 119/4885

“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.