SCHEMBL10165327

SCHEMBL10165327

Cc1ccc(-c2ccc3c(c2)OCO3)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
POLB P06746 1/20 0.53
CLK4 Q9HAZ1 6/20 0.52
DYRK1A Q13627 1/20 0.52
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 2/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
JUN P05412 1/20 0.50
MAPK10 P53779 1/20 0.50
HSD17B10 Q99714 3/20 0.49
ALOX5 P09917 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
CYP1A2 P05177 5/20 0.48
CYP3A4 P08684 5/20 0.48
CYP2D6 P10635 4/20 0.48

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
SCHEMBL10187346 0.79 FYN (0.59) ALDH1A1KDM4EPOLBCLK4DYRK1A
SCHEMBL16455700 0.79 CLK4 (0.50) ALDH1A1KDM4EPOLBCLK4DYRK1A
SCHEMBL29836749 0.77 SRC (0.58) ALDH1A1KDM4EPOLBMAPTUSP2
SCHEMBL567206 0.76 CYP11B1 (0.81) ALDH1A1KDM4EPOLBCLK4DYRK1A
SCHEMBL8988345 0.76 MAPT (0.67) ALDH1A1KDM4EPOLBCLK4MAPT
SCHEMBL22162812 0.75 CA12 (0.58) ALDH1A1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL745450 0.75 SMN1; SMN2 (0.44) ALDH1A1KDM4EPOLBCLK4MAPT
SCHEMBL676678 0.74 HPGDS (0.56) NPC1RAB9APIK3CD
SCHEMBL15759173 0.73 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBCLK4MAPT
SCHEMBL18650958 0.73 CLK4 (0.58) ALDH1A1KDM4EPOLBCLK4DYRK1A

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
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A ALDH1A1 2486/4885KDM4E 4001/4885POLB 2016/4885

“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.