SCHEMBL989191

SCHEMBL989191

O=Cc1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
CES1 P23141 1/20 0.38
KIF11 P52732 2/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOB P27338 3/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
P4HB P07237 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CTSS P25774 1/20 0.36
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL28114013 0.91 NFKB1 (0.39) NFKB1MEN1KMT2AALDH1A1TDP1
SCHEMBL163605 0.87 SLC22A12 (0.41) NFKB1MEN1KMT2AALDH1A1TDP1
SCHEMBL6854167 0.87 NFKB1 (0.47) NFKB1MEN1KMT2AALDH1A1TDP1
SCHEMBL26617639 0.85 NFKB1 (0.38) NFKB1MEN1KMT2AALDH1A1TDP1
SCHEMBL8111349 0.85 ALDH1A1 (0.39) NFKB1MEN1KMT2AALDH1A1TDP1
Fluoride SCHEMBL31028112 0.85 SLC22A12 (0.40) NFKB1MEN1KMT2AALDH1A1TDP1
SCHEMBL677594 0.85 NFKB1 (0.42) NFKB1PIM1PIM3MAOBP4HB
SCHEMBL909840 0.85 MEN1 (0.61) NFKB1MEN1KMT2AALDH1A1TDP1
SCHEMBL30361071 0.85 CA1 (0.43) NFKB1MEN1KMT2AALDH1A1TDP1
SCHEMBL29034751 0.80 ACP1 (0.36) NFKB1MEN1KMT2AALDH1A1TDP1

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
US-9018255-B2 Esters of (acyloxymethyl)acrylamide, a pharmaceutical composition containing them, and their use as inhibitors of the thioredoxin—thioredoxin reductase system Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) 2015-04-28 US claimed
US-6331649-B1 REDUCING AN OXIME BY CATALYTIC HYDROGENTATION IN SOLVENT CONTAINING AN ACID CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-18 US claimed
US-12006294-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-06-11 US disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 US disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 US disclosed
US-9984878-B2 Resist under layer film composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-29 US disclosed
US-20160342088-A1 RESIST UNDER LAYER FILM COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-11-24 US disclosed
CN-103547563-B Biphenyl derivatives useful as glucagon receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2016-03-23 CN disclosed
WO-2015008234-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-01-22 WO disclosed
CN-103547570-A Picolinamido-propanoic acid derivatives useful as glucagon receptor antagonists JANSSEN PHARMACEUTICA NV 2014-01-29 CN disclosed
CN-103547563-A Biphenyl derivatives useful as glucagon receptor antagonists JANSSEN PHARMACEUTICA NV 2014-01-29 CN disclosed
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP disclosed
WO-2003105237-A1 SYNTHESIS OF PERYLENE-PORPHYRIN BUILDING BLOCKS AND POLYMERS THEREOF FOR THE PRODUCTION OF LIGHT-HARVESTING ARRAYS NORTH CAROLINA STATE UNIVERSITY (US) 2003-12-18 WO disclosed
US-20030075216-A1 Synthesis of perylene-porphyrin building blocks and polymers thereof for the production of light-harvesting arrays NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-24 US disclosed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 US disclosed
US-6376712-B2 REDUCTION OF THE CORRESPONDING OXIME COMPOUND CENTRAL GLASS COMPANY, LIMITED (JP) 2002-04-23 US disclosed
US-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde CENTRAL GLASS COMPANY, LIMITED (JP) 2002-04-11 US disclosed
US-20020013500-A1 Process for producing trifluoromethylbenzylamines CENTRAL GLASS COMPANY, LIMITED (JP) 2002-01-31 US disclosed
US-6331649-B1 REDUCING AN OXIME BY CATALYTIC HYDROGENTATION IN SOLVENT CONTAINING AN ACID CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-18 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 (5 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 NFKB1 2378/4885MEN1 1702/4885KMT2A 3291/4885
US-20190330157-A1 THERAPEUTIC COMPOUNDS OPRL1, INA, OGFR NFKB1 753/4885MEN1 4058/4885KMT2A 3083/4885
US-20020013500-A1 Process for producing trifluoromethylbenzylamines MAOB, CYP2F1, AGL NFKB1 3338/4885MEN1 2111/4885KMT2A 1182/4885
US-12006294-B2 Therapeutic compounds OPRL1, INA, OGFR NFKB1 753/4885MEN1 4058/4885KMT2A 3083/4885
US-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde BRPF1, PFAS, FLI1 NFKB1 922/4885MEN1 639/4885KMT2A 2367/4885

“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.