SCHEMBL4968442

SCHEMBL4968442

Clc1ccc2c(c1)OC(c1ccccc1)CN2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.40
KIF11 P52732 1/20 0.38
SLC6A3 Q01959 2/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP19A1 P11511 2/20 0.37
AR P10275 3/20 0.36
MAOB P27338 4/20 0.36
ADORA3 P0DMS8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX12 P18054 1/20 0.35
TSHR P16473 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
SCHEMBL4971664 0.88 ADAMTS5 (0.42) NISCHKIF11SLC6A3ATMSMN1; SMN2
SCHEMBL17633748 0.82 SLC6A4 (0.36) NISCHKDM4EMEN1KMT2AGAA
SCHEMBL30991548 0.82 NISCH (0.40) NISCHKDM4EMEN1KMT2AMAPT
SCHEMBL2362658 0.82 MAOB (0.54) NISCHKIF11MAPTCYP19A1MAOB
SCHEMBL9177187 0.80 NISCH (0.58) NISCHKDM4EMEN1KMT2AGAA
SCHEMBL30991556 0.77 MAOB (0.41) NISCHSMN1; SMN2KDM4EMAPTCYP19A1
SCHEMBL23920087 0.74 AHR (0.35)
SCHEMBL23920083 0.74 AKR1B1 (0.39) NISCHKDM4EARHSD17B10
SCHEMBL22955689 0.74 AKR1B1 (0.39) NISCHKDM4EARHSD17B10
SCHEMBL23920182 0.74 AKR1B1 (0.39) NISCHKDM4EARHSD17B10

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
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 NISCH 748/4885KIF11 2591/4885SLC6A3 513/4885

“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.