SCHEMBL106591

SCHEMBL106591

COC(=O)c1ccc(N2C[C@@H](C)N(C(=O)O)C[C@@H]2C)c(I)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 5/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
CASP3 P42574 1/20 0.37
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL3602135 0.86 KDM4E (0.55) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL103741 0.85 GPR119 (0.41) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL103470 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL103471 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL3591150 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL3594876 0.82 MEN1 (0.50) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL3591153 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL3594880 0.82 MEN1 (0.50) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL2730333 0.75 RAB9A (0.50) KDM4EMAPTNPC1RAB9AKMT2A
SCHEMBL104152 0.72 KDM4E (0.53) 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.