SCHEMBL3604315

SCHEMBL3604315

CC=Cc1cc(C(=O)OC)ccc1N1CCN(C(=O)O)C[C@H]1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 8/20 0.40
NPC1 O15118 4/20 0.40
HPGD P15428 4/20 0.40
MAPT P10636 4/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A7 Q99884 1/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 3/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 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
SCHEMBL3604311 1.00 ALDH1A1 (0.40) ALDH1A1KDM4ENPC1HPGDMAPT
SCHEMBL3604313 1.00 ALDH1A1 (0.40) ALDH1A1KDM4ENPC1HPGDMAPT
SCHEMBL3593522 0.87 HPGD (0.34) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL3593527 0.87 HPGD (0.34) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL3593526 0.87 HPGD (0.34) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL103728 0.87 SMARCA2 (0.46) ALDH1A1KDM4ENPC1HPGDMAPT
SCHEMBL3596344 0.84 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1HPGDMAPT
SCHEMBL3596349 0.84 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1HPGDMAPT
SCHEMBL3591153 0.84 ALDH1A1 (0.38) ALDH1A1KDM4ENPC1HPGDMAPT
SCHEMBL3591150 0.84 ALDH1A1 (0.38) ALDH1A1KDM4ENPC1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 ALDH1A1 4311/4885KDM4E 3663/4885NPC1 163/4885

“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.