SCHEMBL3095541

SCHEMBL3095541

Cc1oc(-c2ccccc2)cc1C(O)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HPGD P15428 4/20 0.40
CYP1A2 P05177 3/20 0.40
MAPT P10636 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX12 P18054 1/20 0.40
LMNA P02545 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
BRD4 O60885 2/20 0.36
S1PR1 P21453 1/20 0.36
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 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
SCHEMBL3113043 0.99 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL3111415 0.97 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL3106571 0.89 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL3109648 0.85 BRD4 (0.39) MEN1KMT2AHPGDCYP1A2CYP2D6
SCHEMBL3106796 0.85 NPC1 (0.40) MEN1KMT2AMAPTTDP1NPC1
SCHEMBL3095713 0.85 NPC1 (0.45) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL3101038 0.84 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL3098680 0.83 SMN1; SMN2 (0.37) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL3089943 0.83 IDO1 (0.45) ALDH1A1KMT2ACYP1A2CYP2D6CYP3A4
SCHEMBL3106514 0.83 MAOB (0.38) ALDH1A1MEN1KMT2AHPGDCYP1A2

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 ALDH1A1 3963/4885MEN1 233/4885KMT2A 2159/4885

“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.