SCHEMBL954134

SCHEMBL954134

COc1cc(F)c(C=O)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.50
TAAR1 Q96RJ0 1/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.41
LMNA P02545 1/20 0.40
TRIM24 O15164 1/20 0.38
TYR P14679 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
NQO2 P16083 1/20 0.38
HDAC1 Q13547 1/20 0.37
PKM P14618 1/20 0.36
PRKDC P78527 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
SCHEMBL17440686 0.88 ERN1 (0.44) ERN1TAAR1ALDH1A1CYP1A1CYP1B1
SCHEMBL1645590 0.88 ERN1 (0.62) ERN1TAAR1ALDH1A1CYP1A1CYP1B1
SCHEMBL1459113 0.86 ERN1 (0.43) ERN1TAAR1ALDH1A1CYP1A1CYP1B1
SCHEMBL15348517 0.86 ERN1 (0.66) ERN1TAAR1ALDH1A1CYP1A1CYP1B1
SCHEMBL13982472 0.82 ERN1 (0.44) ERN1TAAR1CYP1A1CYP1B1CYP1A2
SCHEMBL15109407 0.80 TAAR1 (0.42) ERN1TAAR1CYP1A1CYP1B1CYP1A2
SCHEMBL16056054 0.79 NQO2 (0.42) ERN1NQO2
SCHEMBL28091439 0.79 TAAR1 (0.47) ERN1TAAR1ALDH1A1CYP1A1CYP1B1
SCHEMBL16562821 0.78 GRM5 (0.33) ERN1TAAR1ALDH1A1HDAC1PRKDC
SCHEMBL15487329 0.78 NPC1 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118909249-A Preparation process of fluorine-containing soluble polyimide 矽时代材料科技股份有限公司 2024-11-08 CN claimed
CN-118909249-A Preparation process of fluorine-containing soluble polyimide 矽时代材料科技股份有限公司 2024-11-08 CN disclosed
CN-118909249-A Preparation process of fluorine-containing soluble polyimide 矽时代材料科技股份有限公司 2024-11-08 CN disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2024-04-16 US disclosed
US-20240067655-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-02-29 US disclosed
CN-111757883-B Novel inhibitors of bacterial glutaminyl cyclase for the treatment of periodontal disease and related diseases 弗劳恩霍夫应用研究促进协会 2024-02-13 CN disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 EP disclosed
EP-3872061-B1 1-PHENYL-2-PHENYLETHANE DERIVATIVE KAO CORP (JP) 2023-12-27 EP disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1698624-A1 PHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-09-06 EP disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO disclosed
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP 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 (4 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-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases GMPS, GLS, QPCT ERN1 3177/4885TAAR1 4244/4885ALDH1A1 3726/4885
US-20240067655-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, NUAK1, NUAK2 ERN1 525/4885TAAR1 1337/4885ALDH1A1 4504/4885
US-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 ERN1 1226/4885TAAR1 400/4885ALDH1A1 519/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 ERN1 2323/4885TAAR1 1932/4885ALDH1A1 2257/4885

“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.