SCHEMBL17700680

SCHEMBL17700680

COC(CN(Cc1ccccc1)Cc1ccccc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CALM1 P0DP23 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
AOC3 Q16853 1/20 0.36
NPC1 O15118 1/20 0.36
CTRB1 P17538 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ADRA2B P18089 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
SCHEMBL29338090 0.78 POLB (0.47) TSHRMAPK1POLBALDH1A1KDM4E
SCHEMBL14981206 0.75 TSHR (0.45) TSHRMAPK1POLBALDH1A1KDM4E
SCHEMBL31444934 0.75 TSHR (0.45) TSHRMAPK1POLBALDH1A1KDM4E
SCHEMBL17700561 0.74 CETP (0.61) CETPALDH1A1MEN1KMT2ACYP2C19
SCHEMBL21107307 0.73 SLC6A2 (0.42) TSHRMAPK1POLBALDH1A1KDM4E
SCHEMBL7338804 0.73 TSHR (0.46) TSHRMAPK1POLBALDH1A1KDM4E
SCHEMBL24517095 0.71 CA1 (0.47) TSHRKMT2ANPC1NR1H2NR1H3
SCHEMBL21328902 0.71 POLB (0.42) TSHRMAPK1POLBALDH1A1KDM4E
SCHEMBL6119011 0.71 CA1 (0.47) TSHRKMT2ANPC1NR1H2NR1H3
SCHEMBL15688749 0.71 POLB (0.42) TSHRMAPK1POLBALDH1A1KDM4E

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-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 CETP 1184/4885TSHR 731/4885MAPK1 216/4885

“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.