SCHEMBL11685204

SCHEMBL11685204

Cc1cc(C#N)cc(OC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.41
KCNH2 Q12809 1/20 0.40
GPR3 P46089 1/20 0.39
TRPA1 O75762 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
POLQ O75417 1/20 0.36
VEGFA P15692 1/20 0.35
AR P10275 3/20 0.35
GRM5 P41594 1/20 0.35
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2A6 P11509 1/20 0.34
MGLL Q99685 1/20 0.34
EPAS1 Q99814 2/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL1993677 0.88 PGR (0.44) PGRGPR3TRPA1SCN5ASCN9A
SCHEMBL475727 0.86 PGR (0.43) PGRGPR3TRPA1SCN5ASCN9A
SCHEMBL816347 0.84 GPR3 (0.44) GPR3FFAR4ALDH1A1GRIN2B
SCHEMBL879205 0.80 GPR3 (0.44) GPR3FFAR4ALDH1A1GRIN2B
SCHEMBL23384797 0.79 EPAS1 (0.45) PGRTRPA1SCN5ASCN9AVEGFA
SCHEMBL16957581 0.79 PGR (0.40) PGRTRPA1SCN5ASCN9AFFAR4
SCHEMBL352310 0.78 KCNH2 (0.40) PGRKCNH2TRPA1SCN5ASCN9A
SCHEMBL15821592 0.78 PGR (0.39) PGRGPR3TRPA1SCN5ASCN9A
SCHEMBL16950774 0.78 PGR (0.39) PGRGPR3TRPA1SCN5ASCN9A
SCHEMBL26129077 0.78 PGR (0.39) PGRTRPA1SCN5ASCN9AFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
US-9708270-B2 Substituted spiropiperidinyl compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-20150274672-A1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-10-01 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
WO-2014059232-A2 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2014-04-17 WO disclosed
US-4046656-A Photochlorination process for methyl aromatic compounds THE DOW CHEMICAL COMPANY (US) 1977-09-06 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 (2 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-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 PGR 2323/4885KCNH2 29/4885GPR3 2866/4885
US-20150274672-A1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR180, GPR88 PGR 650/4885KCNH2 1393/4885GPR3 22/4885

“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.