SCHEMBL103470

SCHEMBL103470

COC(=O)c1ccc(N2CCN(C(=O)O)C[C@H]2C)c(I)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 8/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A7 Q99884 1/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 3/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 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
SCHEMBL103471 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL3596569 0.86 KDM4E (0.57) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL3596565 0.86 KDM4E (0.57) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL106591 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL3604196 0.82 MEN1 (0.52) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL3604193 0.82 MEN1 (0.52) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL3604311 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL3604315 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL3604313 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL28584199 0.80 MAPT (0.51) ALDH1A1KDM4EHPGDMAPTNPC1

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 4 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
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP 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 3663/4885HPGD 1883/4885

“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.