SCHEMBL456001

SCHEMBL456001

FC(F)(F)c1[c]c2ccccc2cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.30
CYP1B1 Q16678 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6244052 0.83
SCHEMBL6066739 0.82 CYP2A6 (0.34) ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL18242901 0.80 ELANE (0.31)
SCHEMBL8572830 0.80 CYP2A6 (0.31) ALDH1A1TSHRHSD17B10
SCHEMBL6066540 0.79 HPRT1 (0.45) ALDH1A1TSHRHIF1ACYP1B1HSD17B10
SCHEMBL18244692 0.79 MAPT (0.31)
SCHEMBL2155071 0.78
SCHEMBL8571729 0.78 TSHR (0.32) TSHR
SCHEMBL10615026 0.75 MEN1 (0.30)
SCHEMBL18207643 0.75 CYP1A2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530455-B Urea substituted aromatic ring connecting dioxane and quinazoline compound or medicinal salt or hydrate and application as tyrosine kinase inhibitor 北京赛特明强医药科技有限公司 2021-01-12 CN claimed
US-9834537-B2 Compounds as chloride channel blocking agent KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-05 US claimed
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-05-28 US claimed
US-7077977-B2 Bulky borate activations EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-07-18 US claimed
US-20040254065-A1 Bulky borate activations EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-16 US claimed
EP-1461152-A1 BULKY BORATE ACTIVATORS ExxonMobil Chemical Patents Inc. (US) 2004-09-29 EP claimed
WO-2003049856-A1 BULKY BORATE ACTIVATORS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-06-19 WO claimed
WO-2024135508-A1 COMPOUND, ORGANIC THIN FILM, PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, PHOTOSENSOR AND SOLID-STATE IMAGING DEVICE 三菱瓦斯化学株式会社 2024-06-27 WO disclosed
CN-117616032-A Rare earth complex 东曹株式会社 2024-02-27 CN disclosed
WO-2024038818-A1 FUSED-RING POLYAZAACENE COMPOUND, AND PHOTOELECTRIC CONVERSION ELEMENT OR ORGANIC ELECTRONIC ELEMENT CONTAINING SAME 東ソー株式会社 2024-02-22 WO disclosed
WO-2023233864-A1 OPTICAL FILM, COMPOSITION FOR COLORED LAYER FORMATION, DIPYRROMETHENE COBALT COMPLEX, AND DISPLAY DEVICE 凸版印刷株式会社 2023-12-07 WO disclosed
CN-109976094-B Colored resin composition, optical filter and display device 东友精细化工有限公司 2023-09-15 CN disclosed
WO-2023167234-A1 COMPOUND, ORGANIC THIN FILM, PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, PHOTOSENSOR AND SOLID-STATE IMAGING DEVICE 三菱瓦斯化学株式会社 2023-09-07 WO disclosed
EP-0282895-A2 2-oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-09-21 EP disclosed
EP-0206251-B1 HALOACETAMIDE COMPOUNDS, PROCESS FOR PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDE TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1988-09-07 EP disclosed
EP-0206251-A1 Haloacetamide compounds, process for production thereof, and use thereof as herbicide TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-12-30 EP disclosed
US-4324681-A Chiral supports for resolution of racemates UOP INC. (US) 1982-04-13 US disclosed
US-4246268-A ANTIPSYCHOTICS, TRANQUILIZERS, NEUROLEPTICS COMPOUNDS AND NOVEL INTERMEDIATES RICHARDSON-MERRELL INC. (US) 1981-01-20 US disclosed
US-4235904-A HYPOCHOLESTEROLEMIC, HYPOLIPEMIC, ANTIULCER, ANTIHISTAMINIC AND ANTISEROTONINIC ACTIVITIES INSTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1980-11-25 US disclosed
US-4061637-A CNS, CARDIOVASCULAR, ANTIINFLAMMATORY, ADRENOLYTIC, ANTIULCER ISTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1977-12-06 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 (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-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT CACNB2, CACNB1, CACNB4 ALDH1A1 4200/4885TSHR 2927/4885HIF1A 4263/4885

“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.