SCHEMBL3626772

SCHEMBL3626772

CC(C)c1cccc(-c2cccc(-c3cccc(C(C)C)c3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
PTPN5 P54829 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MDM4 O15151 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL12269982 0.89 CCR1 (0.52) CTSSCTSKRXRARXRBRXRG
SCHEMBL23948695 0.89 CTSS (0.46) CTSSCTSKMEN1RAB9AKMT2A
SCHEMBL3697238 0.85 RAB9A (0.44) CTSSCTSKMEN1RAB9AKMT2A
SCHEMBL20710589 0.84 CNR1 (0.46) CTSSCTSKRAB9ARXRARXRB
SCHEMBL5352034 0.82 RXRA (0.62) CTSSCTSKRXRARXRBRXRG
SCHEMBL9261215 0.81 CTSK (0.50) CTSSCTSKRXRARXRBRXRG
SCHEMBL20152519 0.81 RXRA (0.50) CTSSCTSKMEN1RAB9AKMT2A
SCHEMBL12406136 0.81 KDM4E (0.47) CTSSCTSKRXRARXRBRXRG
SCHEMBL598181 0.80 RXRA (0.66) CTSSCTSKMEN1KMT2ARXRA
SCHEMBL20152517 0.80 MEN1 (0.57) CTSSCTSKMEN1KMT2ARXRA

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 CTSS 1755/4885CTSK 3158/4885MEN1 1250/4885

“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.