SCHEMBL3127902

SCHEMBL3127902

Cc1cccc(CC(=O)CC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.51
POLB P06746 1/20 0.50
ACHE P22303 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
MAPK8 P45983 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MAOB P27338 2/20 0.41
IDO1 P14902 1/20 0.41
MMP13 P45452 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
SCHEMBL7073775 0.85 CTBP2 (0.61) CTBP2POLBACHEL3MBTL1NPC1
SCHEMBL29635163 0.85 CTBP2 (0.61) CTBP2POLBACHEL3MBTL1NPC1
M-Xylene SCHEMBL11058726 0.83 ACHE (0.56) ACHE
SCHEMBL3129702 0.81 CYP2D6 (0.53) MAOB
SCHEMBL11181344 0.80 CTBP2 (0.60) CTBP2POLBL3MBTL1NPC1CASP3
SCHEMBL2436067 0.80 CTBP2 (0.56) CTBP2POLBL3MBTL1NPC1CASP3
SCHEMBL106992 0.80 TSHR (0.53) POLBL3MBTL1ALDH1A1
SCHEMBL12106784 0.79 CTBP2 (0.54) CTBP2POLBL3MBTL1NPC1CASP3
SCHEMBL3016501 0.79 CTBP2 (0.54) CTBP2POLBL3MBTL1NPC1CASP3
SCHEMBL10137770 0.79 CTBP2 (0.54) CTBP2POLBL3MBTL1NPC1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 EP disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 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-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND CCR3, CCR5, CCR1 CTBP2 605/4885POLB 3370/4885ACHE 4326/4885

“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.