SCHEMBL7793928

SCHEMBL7793928

C=CC(F)(F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.50
PTPN1 P18031 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
KCNN4 O15554 3/20 0.38
KIF11 P52732 1/20 0.37
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PTPN5 P54829 1/20 0.31
TRPV6 Q9H1D0 1/20 0.31
AKT1 P31749 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL7644558 0.86 NR1H2 (0.34) TSHRALDH1A1KIF11PGK1PGK2
SCHEMBL24465044 0.75 KIF11 (0.43) TSHRALDH1A1KIF11MAPK1
SCHEMBL29032839 0.75 ALDH1A1 (0.46) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL23536244 0.75 CA1 (0.42) ALDH1A1CA1CA2CA5ACA9
SCHEMBL1064377 0.75 TSHR (0.43) TSHRALDH1A1PTPN1KCNN4HTT
SCHEMBL737574 0.74 MAPK1 (0.44) TSHRALDH1A1KCNN4MAPK1
SCHEMBL2007205 0.74 ALDH1A1 (0.50) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL19540177 0.73 CYP19A1 (0.49) ALDH1A1KIF11CYP1A2
SCHEMBL20654553 0.73 ALDH1A1 (0.44) TSHRALDH1A1MAPK1CYP1A2
SCHEMBL1587335 0.72 ALDH1A1 (0.41) TSHRALDH1A1PTPN1KCNN4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3527593-B1 ISOCYANATE COMPOSITION, METHOD FOR PRODUCING ISOCYANATE COMPOSITION, AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-23 EP disclosed
EP-3527600-B1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-09 EP disclosed
CN-112979917-B Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer 旭化成株式会社 2023-04-25 CN disclosed
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-04-13 US disclosed
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-10 US disclosed
CN-109790269-B Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer 旭化成株式会社 2022-06-14 CN disclosed
CN-109803992-B Isocyanate composition and method for producing isocyanate polymer 旭化成株式会社 2022-05-24 CN disclosed
EP-3536683-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2021-11-24 EP disclosed
CN-107963982-B Polyisocyanate composition and isocyanate polymer composition 旭化成株式会社 2021-11-12 CN disclosed
US-11118001-B2 Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-14 US disclosed
US-10301417-B2 Polyisocyanate composition and isocyanate polymer composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-05-28 US disclosed
US-10125212-B2 Polyisocyanate composition and isocyanate polymer composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-11-13 US disclosed
EP-3372579-A1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2018-09-12 EP disclosed
US-20170298169-A1 Polyisocyanate Composition and Isocyanate Polymer Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-10-19 US disclosed
EP-2915803-A1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION Asahi Kasei Chemicals Corporation (JP) 2015-09-09 EP disclosed
US-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-07-30 US disclosed
WO-2014165861-A1 METAL-CATALYZED COUPLING OF ARYL AND VINYL HALIDES WITH ALPHA, ALPHA-DIFLUOROCARBONYL COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-09 WO disclosed
US-20010002425-A1 Process for production of 1,4-bis (difluoroalkyl) benzene derivative NIPPON SHOKUBAI CO., LTD., A JAPAN CORPORATION 2001-05-31 US disclosed
EP-0930287-A1 Process for production of 1,4-bis(difluoroalkyl) benzene derivative NIPPON SHOKUBAI CO., LTD. (JP) 1999-07-21 EP 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 (8 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-10301417-B2 Polyisocyanate composition and isocyanate polymer composition PAH, ALKBH1, ALKBH3 TSHR 4682/4885ALDH1A1 427/4885PTPN1 959/4885
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B TSHR 4885/4885ALDH1A1 643/4885PTPN1 3433/4885
US-20170298169-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY TSHR 4448/4885ALDH1A1 2991/4885PTPN1 3464/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B TSHR 4885/4885ALDH1A1 666/4885PTPN1 3308/4885
US-20010002425-A1 Process for production of 1,4-bis (difluoroalkyl) benzene derivative AFF1, AFF2, AFF4 TSHR 2272/4885ALDH1A1 1790/4885PTPN1 1594/4885
US-10125212-B2 Polyisocyanate composition and isocyanate polymer composition TST, SUDS3, SCLY TSHR 4448/4885ALDH1A1 2991/4885PTPN1 3464/4885
US-11118001-B2 Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer IDH3A, IPO4, IDH3B TSHR 4584/4885ALDH1A1 2106/4885PTPN1 4681/4885
US-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY TSHR 4448/4885ALDH1A1 2991/4885PTPN1 3464/4885

“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.