SCHEMBL6862472

SCHEMBL6862472

C=C(C)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 3/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
ACHE P22303 1/20 0.40
PTPN1 P18031 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
LMNA P02545 1/20 0.38
BCHE P06276 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
SCHEMBL30820836 1.00 CES2 (0.52) CES2CES1GAAALDH1A1ALOX15
SCHEMBL14040983 0.81 CES2 (0.56) CES2CES1GAAALDH1A1ALOX15
SCHEMBL29434165 0.81 MEN1 (0.40) GAAALDH1A1ALOX15SMN1; SMN2MEN1
SCHEMBL107161 0.81 MEN1 (0.40) GAAALDH1A1ALOX15SMN1; SMN2MEN1
SCHEMBL8154087 0.79 ESR1 (0.45) CES2CES1GAAALDH1A1ALOX15
SCHEMBL14127160 0.79 CES2 (0.56) CES2CES1GAAALDH1A1ALOX15
Hydrogen Peroxide SCHEMBL28416110 0.78 ALDH1A1 (0.43) CES2CES1ALDH1A1ALOX15SMN1; SMN2
SCHEMBL4426071 0.78 MEN1 (0.39) GAAALDH1A1ALOX15SMN1; SMN2MEN1
Lithium SCHEMBL6003985 0.78 MEN1 (0.39) GAAALDH1A1ALOX15SMN1; SMN2MEN1
SCHEMBL30622076 0.78 MEN1 (0.39) GAAALDH1A1ALOX15SMN1; SMN2MEN1

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 57 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-116023600-A Hyper-dispersant, and preparation method and application thereof 上海宇昂水性新材料科技股份有限公司 2023-04-28 CN 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
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP disclosed
EP-3661941-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP 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-113024349-B 3, 3-difluoro-1, 5-hexadiene compound and preparation method and application thereof 南京工业大学 2022-06-07 CN disclosed
CN-101039900-A 6-amino(aza)indane compounds suitable for treating disorders that respond to modulation of the dopamine d3 receptor ABBOTT GMBH & CO KG (DE) 2007-09-19 CN disclosed
US-6800676-B2 ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 US disclosed
EP-1305297-A1 BENZOTRIAZOLES CONTAINING ALPHA-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH Ciba SC Holding AG (CH) 2003-05-02 EP disclosed
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 US disclosed
US-6451887-B1 Benzotriazoles containing α-cumyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-17 US disclosed
WO-2002012205-A1 BENZOTRIAZOLES CONTAINING α-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-14 WO disclosed
EP-0865420-A1 UNSATURATED ESTERS AND THEIR USE IN COATING COMPOSITIONS PPG INDUSTRIES, INC. (US) 1998-09-23 EP disclosed
WO-1997013742-A1 UNSATURATED ESTERS AND THEIR USE IN COATING COMPOSITIONS PPG INDUSTRIES, INC. (US) 1997-04-17 WO disclosed
US-4967009-A REACTING UNSATURATED AROMATIC COMPOUNDS WITH AROMATIC IODOSYL COMPOUNDS TO YIELD AROMATIC ALDEHYDES OR KETONES NIPPON PETROCHEMICALS CO., LTD. (JP) 1990-10-30 US disclosed
US-3932573-A Process for producing glass fiber reinforced injection molding compounds ETHYL CORPORATION (US) 1976-01-13 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 (3 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-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B CES2 974/4885CES1 2463/4885GAA 3432/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B CES2 959/4885CES1 2329/4885GAA 3377/4885
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith SUV39H1, SUV39H2, TPST2 CES2 1684/4885CES1 3530/4885GAA 2317/4885

“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.