SCHEMBL3623211

SCHEMBL3623211

Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)n2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
CCR8 P51685 1/20 0.42
HTR7 P34969 2/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2A6 P11509 2/20 0.41
HSD17B10 Q99714 1/20 0.40
ACHE P22303 1/20 0.38
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR1 P34998 1/20 0.36
PDK2 Q15119 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL31655443 0.98 CCR1 (0.46) CCR1CCR8HTR7CYP1A2CYP2A6
SCHEMBL30828141 0.89 CCR1 (0.60) CCR1CCR8HTR7CYP1A2CYP2A6
SCHEMBL19426863 0.89 CCR1 (0.60) CCR1CCR8HTR7CYP1A2CYP2A6
SCHEMBL31458627 0.86 HTR7 (0.37) CCR1CCR8HTR7CYP1A2CYP2A6
SCHEMBL2072180 0.86 HTR7 (0.37) CCR1CCR8HTR7CYP1A2CYP2A6
SCHEMBL4628888 0.84 HTR7 (0.36) CCR1CCR8HTR7CYP1A2CYP2A6
SCHEMBL25015240 0.81 NOS1 (0.40) CCR1CCR8HTR7CYP1A2CYP2A6
SCHEMBL2070847 0.81 NOS1 (0.40) CCR1CCR8HTR7CYP1A2CYP2A6
SCHEMBL30570368 0.81 TERT (0.41) CCR1CCR8HTR7CYP1A2CYP2A6
SCHEMBL25391492 0.81 TERT (0.41) CCR1CCR8HTR7CYP1A2CYP2A6

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-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-09-30 US disclosed
EP-2208722-A1 PROCESS FOR PRODUCTION OF DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALYST, PROCESS FOR PRODUCTION OF -AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE SALT National University Corporation Nagoya University (JP) 2010-07-21 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-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE MGAT2, MPST, MGAT1 CCR1 4421/4885CCR8 4698/4885HTR7 1424/4885

“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.