SCHEMBL3629462

SCHEMBL3629462

CCc1cc(CC)cc(-c2cccc(-c3cc(CC)cc(CC)c3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 1/20 0.43
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
FGFR1 P11362 1/20 0.38
TP53 P04637 1/20 0.37
BCL2 P10415 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL3623102 0.85 IDO1 (0.59) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL3631394 0.80 RAB9A (0.52) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL16559892 0.77 CYP4F2 (0.47) ALDH1A1MAPTRAB9ACYP1A2SMN1; SMN2
SCHEMBL12390320 0.74 TGFBR1 (0.44) CTSSCTSKCCR1CCR8
SCHEMBL9704527 0.74 SMN1; SMN2 (0.51) ALDH1A1POLBMAPTHPGDRAB9A
SCHEMBL3623209 0.74 CTSS (0.59) RAB9AMEN1KMT2AIDO1CTSS
SCHEMBL19559907 0.74 CYP1A2 (0.49) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL13040762 0.74 IDO1 (0.51) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL13799177 0.71 HRH3 (0.49) POLBIDO1CTSSCYP1A2CYP2A6
SCHEMBL13040760 0.71 IDO1 (0.49) ALDH1A1HSD17B10RAB9AIDO1CTSS

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 ALDH1A1 213/4885POLB 1891/4885MAPT 2836/4885

“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.