SCHEMBL3973317

SCHEMBL3973317

Oc1ccc(C(F)(F)CF)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.52
ESR2 Q92731 11/20 0.52
KIF11 P52732 1/20 0.50
CYP3A4 P08684 3/20 0.44
LMNA P02545 2/20 0.44
TYR P14679 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
AR P10275 1/20 0.44
TSHR P16473 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR6 P50406 1/20 0.44
ESRRG P62508 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SHBG P04278 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL7670356 0.87 TAAR1 (0.33) ESR1ESR2KIF11TSHRALDH1A1
SCHEMBL27551686 0.80 ESR1 (0.52) ESR1ESR2KIF11CYP3A4LMNA
SCHEMBL24253164 0.78 ESR1 (0.50) ESR1ESR2KIF11CYP3A4LMNA
SCHEMBL7756496 0.78 ESR1 (0.50) ESR1ESR2KIF11CYP3A4LMNA
SCHEMBL13521454 0.77 ESR1 (0.58) ESR1ESR2KIF11CYP3A4LMNA
SCHEMBL3443841 0.77 ESR1 (0.48) ESR1ESR2KIF11CYP3A4LMNA
SCHEMBL6130604 0.76 ESR1 (0.54) ESR1ESR2KIF11CYP3A4LMNA
SCHEMBL10035138 0.75 TSHR (0.46) KIF11TSHRSLC6A4NPC1CA1
SCHEMBL15974610 0.75 CA1 (0.43) SLC6A4ALDH1A1CA1CA2ALOX15
SCHEMBL3948379 0.75 MGLL (0.61) TSHRKDM4ECA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111087650-B Vulcanizing agent system for fluororubber, fluororubber compound and application 浙江加诚新材料有限公司 2021-06-29 CN claimed
CN-111087650-A Vulcanizing agent system for fluororubber, fluororubber compound and application 浙江加诚新材料有限公司 2020-05-01 CN claimed
CN-111087650-B Vulcanizing agent system for fluororubber, fluororubber compound and application 浙江加诚新材料有限公司 2021-06-29 CN disclosed
CN-111087650-B Vulcanizing agent system for fluororubber, fluororubber compound and application 浙江加诚新材料有限公司 2021-06-29 CN disclosed
CN-111087650-A Vulcanizing agent system for fluororubber, fluororubber compound and application 浙江加诚新材料有限公司 2020-05-01 CN disclosed
CN-111087650-A Vulcanizing agent system for fluororubber, fluororubber compound and application 浙江加诚新材料有限公司 2020-05-01 CN disclosed
US-7491747-B2 4-(Arylthio)- or (4-heteroarylthio)butyric acid derivatives that may be used in the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2009-02-17 US disclosed
US-7318950-B2 Chiral compounds II MERCK GMBH (DE) 2008-01-15 US disclosed
US-20050020651-A1 Butyric acid derivatives MERCK PATENT GMBH (DE) 2005-01-27 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-20050020651-A1 Butyric acid derivatives GPR119, DBI, GABRB1 ESR1 4230/4885ESR2 2181/4885KIF11 3806/4885

“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.