SCHEMBL4149032

SCHEMBL4149032

FC(F)(F)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.60
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KIF11 P52732 1/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL2253515 0.85 TRPV4 (0.50) TRPV4KMT2AGAANPSR1ALDH1A1
SCHEMBL803453 0.84 KMT2A (0.44) TRPV4KMT2AGAANPSR1MAPT
SCHEMBL77362 0.84 TRPV4 (0.54) TRPV4KMT2AGAAALDH1A1TSHR
Hydrochloric Acid SCHEMBL2251772 0.83 TRPV4 (0.48) TRPV4KMT2AGAANPSR1ALDH1A1
SCHEMBL24397795 0.81 KMT2A (0.46) TRPV4KMT2AGAANPSR1MAPT
SCHEMBL16019418 0.81 TRPV4 (0.50) TRPV4KMT2AGAAALDH1A1PKM
SCHEMBL22877116 0.81 TRPV4 (0.50) TRPV4KMT2AGAANPSR1MAPT
SCHEMBL2253745 0.81 TRPV4 (0.50) TRPV4KMT2AGAA
SCHEMBL18463717 0.81 KMT2A (0.42) TRPV4KMT2AGAANPSR1MAPT
SCHEMBL17315812 0.79 TRPV4 (0.48) TRPV4KMT2AGAA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023148215-A1 3,6-BIS(CYANOMETHYLIDENE)CYCLOHEXA-1,4-DIENE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONIC DEVICES NOVALED GMBH (DE) 2023-08-10 WO disclosed
EP-4223739-A1 3,6-BIS(CYANOMETHYLIDENE)CYCLOHEXA-1,4-DIENE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONIC DEVICES Novaled GmbH (DE) 2023-08-09 EP disclosed
CN-107722148-B Solid polyaluminoxane composition, catalyst for olefin polymerization, and method for producing olefin polymer 三井化学株式会社 2021-06-08 CN disclosed
CN-107722146-B Method for producing solid polyaluminoxane composition 三井化学株式会社 2021-02-26 CN disclosed
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2009-07-23 US disclosed
US-4925947-A AGRICULTURAL USE, SENSITIVE TO CROPS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US disclosed
US-4555575-A CHLORINATION OF A DISUBSTITUTED METHYL PYRIDINE HYDROCHLORIDE SALT IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-11-26 US disclosed
US-4508907-A 2,3-Dichloro-5-trichloromethylpyridine IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-04-02 US disclosed
EP-0107866-A2 Trihalomethylpyridine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-05-09 EP disclosed
US-4324627-A CHLORINATION OF 3-METHYLPYRIDINE UNDER INFLUENCE OF ULTRA VIOLET LIGHT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-13 US disclosed
US-4317913-A Herbicidal pyridine compounds IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-03-02 US disclosed
EP-0028870-A1 Phenoxypyridine compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-05-20 EP disclosed
EP-0021453-A2 2-Chloro-5-trichloromethylpyridine IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-07 EP disclosed
EP-0001473-A2 Herbicidal halogenomethyl--pyridyloxy-phenoxy-alkanecarboxylic acids and derivatives, and processes of controlling unwanted plants therewith IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-04-18 EP disclosed
WO-1979000094-A1 HERBICIDAL PYRIDINE COMPOUNDS ICI LTD (GB) 1979-03-08 WO 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-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 TRPV4 3111/4885KMT2A 3024/4885GAA 1404/4885

“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.