SCHEMBL3107300

SCHEMBL3107300

COCc1oc(-c2ccc(C(F)(F)F)cc2)cc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP4B1 P13584 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP3A5 P20815 1/20 0.39
CYP2A7 P20853 1/20 0.39
CYP3A7 P24462 1/20 0.39
CYP2F1 P24903 1/20 0.39
CYP2C18 P33260 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP2J2 P51589 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4F8 P98187 1/20 0.39

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
SCHEMBL3101477 0.87 CYP1A1 (0.38) RAB9ACYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL3104847 0.85 CYP1A1 (0.42) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL3090890 0.85 ALDH1A1 (0.43) CYP1A1CYP1A2CYP1B1ARMAOB
SCHEMBL3105318 0.82 ALDH1A1 (0.40) RAB9ACYP3A4CYP2C9CYP2C19AR
SCHEMBL3112671 0.82 CYP1A1 (0.39) RAB9ACYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL3917025 0.82 EIF4A1 (0.39) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL3904591 0.77 CYP1A1 (0.44) RAB9ACYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL3101610 0.77 KDM4E (0.46) RAB9ACYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL3102753 0.74 ERN1 (0.48) CYP2A6ERN1TDP1MAPT
SCHEMBL27748366 0.74 CYP1A1 (0.39) RAB9ACYP1A1CYP1A2CYP2E1CYP3A4

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 RAB9A 3790/4885CYP1A1 839/4885CYP1A2 1570/4885

“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.