SCHEMBL895269

SCHEMBL895269

O=C=NCCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
MIF P14174 5/20 0.44
C3AR1 Q16581 2/20 0.43
FFAR1 O14842 1/20 0.41
MAOB P27338 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2A13 Q16696 1/20 0.39
EPAS1 Q99814 1/20 0.39
AOC3 Q16853 1/20 0.38
IDO1 P14902 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
LMNA P02545 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL331135 0.89 MIF (0.48) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL23124322 0.88 MIF (0.43) TAAR1MIFC3AR1FFAR1MAOB
SCHEMBL8088221 0.82 TAAR1 (0.37) TAAR1MIFC3AR1FFAR1MAOB
SCHEMBL18567327 0.81 MIF (0.42) MIFC3AR1TRPA1CYP2E1CYP2A6
SCHEMBL1148243 0.79 TAAR1 (0.45) TAAR1MIFTRPA1CYP2E1CYP2A6
SCHEMBL3967224 0.79 MIF (0.66) TAAR1MIFC3AR1TRPA1CYP2E1
SCHEMBL1844610 0.79 TAAR1 (0.45) TAAR1MIFMAOBTRPA1CYP2E1
SCHEMBL11253670 0.79 CYP2A6 (0.45) TAAR1MIFC3AR1FFAR1TRPA1
SCHEMBL1846505 0.79 MIF (0.66) TAAR1MIFC3AR1MAOBTRPA1
SCHEMBL27850331 0.79 MIF (0.66) TAAR1MIFTRPA1HIF1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN claimed
CN-117105820-A Preparation method of 4-fluorophenethyl isocyanate 上海阿拉丁生化科技股份有限公司 2023-11-24 CN claimed
CN-116715633-A Compounds useful for uric acid reduction 江苏新元素医药科技有限公司 2023-09-08 CN claimed
US-10056542-B2 Piezoelectric device COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-08-21 US claimed
EP-3073541-B1 PIEZOELECTRIC DEVICE COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-03-07 EP claimed
US-20160284978-A1 PIEZOELECTRIC DEVICE COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2016-09-29 US claimed
EP-3073541-A1 PIEZOELECTRIC DEVICE COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2016-09-28 EP claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
US-20250281424-A1 SMALL MOLECULE ANTAGONISTS OF PF4 ZHOU YUHANG (US) 2025-09-11 US disclosed
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 WO disclosed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 US disclosed
CN-101022810-A Novel biaromatic compounds which activate peroxisome proliferator activated receptor-like receptors and their use in cosmetic or pharmaceutical compositions GALDERMA RES & DEV (FR) 2007-08-22 CN disclosed
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US disclosed
EP-1781297-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP disclosed
WO-2006018326-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-23 WO disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD TAAR1 646/4885MIF 2954/4885C3AR1 1242/4885
US-20250281424-A1 SMALL MOLECULE ANTAGONISTS OF PF4 PF4, F12, F2 TAAR1 3735/4885MIF 3938/4885C3AR1 167/4885
US-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 TAAR1 675/4885MIF 122/4885C3AR1 126/4885

“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.