SCHEMBL8199656

SCHEMBL8199656

CCc1ccc(O)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.57
POLB P06746 1/20 0.41
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
CYP19A1 P11511 1/20 0.40
PDK2 Q15119 1/20 0.39
SLC2A1 P11166 1/20 0.39
APP P05067 1/20 0.38
HSD17B10 Q99714 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL9861531 0.85 TRPA1 (0.53) TRPA1POLBPDK2HSD17B10CNR1
SCHEMBL28396841 0.85 CNR1 (0.58) TRPA1PDK2HSD17B10CNR1CNR2
SCHEMBL10164822 0.84 TRPA1 (0.57) TRPA1POLBCYP19A1PDK2DAO
SCHEMBL29485598 0.83 CA1 (0.54) POLBHSD17B1HSD17B2CYP19A1APP
SCHEMBL14421293 0.83 CA1 (0.54) POLBHSD17B1HSD17B2CYP19A1APP
SCHEMBL28402812 0.82 TRPA1 (0.50) TRPA1POLBPDK2SLC2A1HSD17B10
SCHEMBL9861563 0.82 TRPA1 (0.50) TRPA1POLBPDK2HSD17B10CNR1
SCHEMBL28646119 0.82 NPC1 (0.50) HSD17B10CNR1CNR2KDM4EALDH1A1
SCHEMBL81339 0.82 KIF11 (0.49) HSD17B1HSD17B2CYP19A1PDK2APP
SCHEMBL13446846 0.82 TRPA1 (0.59) TRPA1POLBHSD17B10CNR1CNR2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779238-B Polycarbonate resin, method for producing polycarbonate resin, coating liquid, electrophotographic photoreceptor, and electrophotographic apparatus 出光兴产株式会社 2021-10-29 CN claimed
CN-113396137-A Method for producing 1,1, 1-trifluoro-2, 2-bisarylethane, and 1,1, 1-trifluoro-2, 2-bisarylethane 中央硝子株式会社 2021-09-14 CN claimed
CN-114276531-B Bischloroformate composition and its preparation method, polycarbonate resin and its preparation method, electrophotographic photoreceptor and electrophotographic device 出光兴产株式会社 2023-10-20 CN disclosed
CN-114276531-A Bischloroformate composition and process for producing the same, polycarbonate resin and process for producing the same, electrophotographic photoreceptor and electrophotographic apparatus 出光兴产株式会社 2022-04-05 CN disclosed
CN-108779238-B Polycarbonate resin, method for producing polycarbonate resin, coating liquid, electrophotographic photoreceptor, and electrophotographic apparatus 出光兴产株式会社 2021-10-29 CN disclosed
CN-113396137-A Method for producing 1,1, 1-trifluoro-2, 2-bisarylethane, and 1,1, 1-trifluoro-2, 2-bisarylethane 中央硝子株式会社 2021-09-14 CN disclosed
CN-106459395-B Polycarbonate copolymer, method for producing polycarbonate copolymer, coating liquid, electrophotographic photoreceptor, and electrical device 出光兴产株式会社 2020-02-14 CN disclosed
EP-3505188-A1 PRO-CYCLIC DINUCLEOTIDE CONJUGATES FOR CYTOKINE INDUCTION Invivogen (FR) 2019-07-03 EP disclosed
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2017-12-21 US disclosed
CN-106459395-A Polycarbonate copolymer, coating liquid, electrophotographic photoreceptor, and electrical device 出光兴产株式会社 2017-02-22 CN disclosed
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2016-10-27 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-20080287371-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR MODULATION OF THE MIGRATING MOTOR COMPLEX TRANZYME PHARMA INC. 2008-11-20 US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
WO-2008063667-A1 HETEROTRICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (10 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 TRPA1 1954/4885POLB 3886/4885HSD17B1 3119/4885
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 TRPA1 2883/4885POLB 1763/4885HSD17B1 1315/4885
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 TRPA1 2845/4885POLB 4098/4885HSD17B1 126/4885
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 TRPA1 1079/4885POLB 4713/4885HSD17B1 825/4885
US-20080287371-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR MODULATION OF THE MIGRATING MOTOR COMPLEX MLNR, CCKAR, CCKBR TRPA1 2618/4885POLB 1364/4885HSD17B1 3364/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 TRPA1 1512/4885POLB 1304/4885HSD17B1 459/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TRPA1 3839/4885POLB 1285/4885HSD17B1 1095/4885
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 TRPA1 2845/4885POLB 4098/4885HSD17B1 126/4885
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 TRPA1 4021/4885POLB 1069/4885HSD17B1 1136/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 TRPA1 4001/4885POLB 1877/4885HSD17B1 764/4885

“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.