SCHEMBL10280413

SCHEMBL10280413

COCOc1cc(-c2ccc3c(c2)OCO3)ccc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
TSHR P16473 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
KMT2A Q03164 6/20 0.49
KDM4E B2RXH2 5/20 0.49
MEN1 O00255 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TP53 P04637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RAB9A P51151 6/20 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
SCHEMBL1390684 0.85 ALDH1A1 (0.51) ALDH1A1MAPTTSHRCYP3A4CYP2D6
SCHEMBL10280561 0.82 ERN1 (0.48) ALDH1A1MAPTTSHRCYP3A4CYP2D6
SCHEMBL10280160 0.81 RARG (0.46) ALDH1A1MAPTTSHRCYP3A4CYP2D6
SCHEMBL7922447 0.77 TDP1 (0.51) ALDH1A1MAPTKMT2AKDM4ETP53
SCHEMBL8131795 0.76 RAB9A (0.48) ALDH1A1MAPTTSHRCYP3A4CYP2D6
SCHEMBL7923604 0.76 CHEK1 (0.47) ALDH1A1MAPTCYP2D6CYP2C9CYP2C19
SCHEMBL7920254 0.75 PLA2G2A (0.51) ALDH1A1MAPTTSHRCYP3A4CYP2D6
SCHEMBL7920655 0.75 MRGPRX4 (0.45) MAPTKDM4ETDP1PTGER4
SCHEMBL7928723 0.75 PLA2G2A (0.50) ALDH1A1MAPTTSHRKDM4EHSD17B10
SCHEMBL11942537 0.74 KDM4E (0.47) ALDH1A1MAPTTSHRKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB ALDH1A1 762/4885MAPT 3578/4885TSHR 3927/4885

“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.