SCHEMBL3099002

SCHEMBL3099002

Cc1cc(C(O)C2CCCCC2)c(C)s1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 14/20 0.43
TDO2 P48775 14/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX5 P09917 1/20 0.37
DHODH Q02127 1/20 0.36
BRD4 O60885 1/20 0.35
HTR1A P08908 1/20 0.35
HIF1A Q16665 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
SCHEMBL3111425 0.79 ALDH1A1 (0.42) IDO1TDO2ALDH1A1HPGDSMN1; SMN2
SCHEMBL3101008 0.77 IDO1 (0.42) IDO1TDO2
SCHEMBL19276929 0.73 IDO1 (0.39) IDO1TDO2ALDH1A1HPGDSMN1; SMN2
SCHEMBL3105161 0.72 PDE2A (0.45) IDO1TDO2SMN1; SMN2
SCHEMBL22150042 0.71 ALOX5 (0.47) ALDH1A1ALOX5HTR1A
SCHEMBL7326998 0.71 ALOX5 (0.47) ALDH1A1ALOX5HTR1A
SCHEMBL3089860 0.69 BRD4 (0.41) IDO1TDO2ALDH1A1HPGDSMN1; SMN2
SCHEMBL3095430 0.67 IDO1 (0.45) IDO1TDO2DHODH
SCHEMBL3101491 0.67 IDO1 (0.45) IDO1TDO2
SCHEMBL16423517 0.67 DHODH (0.37) IDO1TDO2ALDH1A1HPGDDHODH

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-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR IDO1 1206/4885TDO2 1785/4885ALDH1A1 3963/4885

“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.