SCHEMBL4131036

SCHEMBL4131036

CC(F)(F)c1ccc(C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.61
RARB P10826 1/20 0.55
RARG P13631 1/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
EPHX2 P34913 3/20 0.52
NR1H4 Q96RI1 3/20 0.52
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
RXRG P48443 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 1/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CA12 O43570 1/20 0.46

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
Hydrochloric Acid SCHEMBL11564114 0.98 SRD5A2 (0.59) SRD5A2RARBRARGTP53TSHR
SCHEMBL107327 0.86 SRD5A2 (0.61) SRD5A2RARBRARGTP53TSHR
SCHEMBL28843318 0.84 SRD5A2 (0.57) SRD5A2EPHX2ALDH1A1SMN1; SMN2HPGD
SCHEMBL10013563 0.83 SRD5A2 (0.57) SRD5A2RARBRARGTP53TSHR
SCHEMBL18130711 0.83 SRD5A2 (0.57) SRD5A2RARBRARGTP53TSHR
SCHEMBL4861421 0.83 SRD5A2 (0.57) SRD5A2RARBRARGTP53TSHR
SCHEMBL9178487 0.83 SRD5A2 (0.57) SRD5A2RARBRARGTP53TSHR
Ethane SCHEMBL10971565 0.82 SRD5A2 (0.80) SRD5A2RARBRARGTP53TSHR
SCHEMBL18290647 0.82 MAOB (0.49) EPHX2NR1H4ALDH1A1SMN1; SMN2HPGD
SCHEMBL78879 0.81 SRD5A2 (0.87) SRD5A2TP53TSHREPHX2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119391247-A Chip-level super-hydrophobic nano insulation protective coating and preparation method thereof 中科微新材料(深圳)有限公司 2025-02-07 CN claimed
CN-113559802-B Device and method for synthesizing drug intermediate trifluoromethyl substituted aromatic compound 北京六合宁远医药科技股份有限公司 2023-03-17 CN claimed
CN-113559802-A Device and method for synthesizing drug intermediate trifluoromethyl substituted aromatic compound 北京六合宁远医药科技股份有限公司 2021-10-29 CN claimed
EP-3623372-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH INC (US) 2026-02-04 EP disclosed
CN-119391247-A Chip-level super-hydrophobic nano insulation protective coating and preparation method thereof 中科微新材料(深圳)有限公司 2025-02-07 CN disclosed
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2024-06-25 US disclosed
CN-117582436-A Iminoacyl hydrazides, compositions containing same and uses thereof 甫康(上海)健康科技有限责任公司 2024-02-23 CN disclosed
CN-116836173-B Iminoacyl hydrazides, compositions containing same and uses thereof 甫康(上海)健康科技有限责任公司 2023-12-12 CN disclosed
CN-116836173-A Iminoacyl hydrazides, compositions containing same and uses thereof 甫康(上海)健康科技有限责任公司 2023-10-03 CN disclosed
CN-113559802-B Device and method for synthesizing drug intermediate trifluoromethyl substituted aromatic compound 北京六合宁远医药科技股份有限公司 2023-03-17 CN disclosed
CN-113559802-A Device and method for synthesizing drug intermediate trifluoromethyl substituted aromatic compound 北京六合宁远医药科技股份有限公司 2021-10-29 CN disclosed
EP-2576557-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4-[(DIFLUOROETHYL)PHENYL]-4H-PYRROLO[1,2-a][1,4]BENZODIAZEPINE AND 4-(DIFLUOROETHYL)PHENYL-6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2013-04-10 EP disclosed
US-20130085136-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4-[(DIFLUOROETHYL)PHENYL]-4H-PYRROLO[1,2-a][1,4]BENZODIAZEPINE AND 4-(DIFLUOROETHYL)PHENYL-6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-04-04 US disclosed
WO-2011154298-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4-[(DIFLUOROETHYL)PHENYL]-4H-PYRROLO[1,2-a][1,4]BENZODIAZEPINE AND 4-(DIFLUOROETHYL)PHENYL-6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 WO disclosed
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
US-4173706-A REACTING WITH MOLYBDENUM HEXAFLUORIDE INSTITUTE NATIONAL DE RECHERCHE CHIMIQUE APPLIQUEE (FR) 1979-11-06 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 (4 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-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 SRD5A2 3620/4885RARB 3994/4885RARG 3869/4885
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 SRD5A2 762/4885RARB 894/4885RARG 879/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 SRD5A2 762/4885RARB 894/4885RARG 879/4885
US-20130085136-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4-[(DIFLUOROETHYL)PHENYL]-4H-PYRROLO[1,2-a][1,4]BENZODIAZEPINE AND 4-(DIFLUOROETHYL)PHENYL-6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINE DERIVATIVES GABBR1, CYP2D6, GABBR2 SRD5A2 681/4885RARB 2140/4885RARG 2694/4885

“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.