SCHEMBL953686

SCHEMBL953686

COc1ccc(F)c(C=O)c1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.44
ALDH1A1 P00352 5/20 0.42
TSHR P16473 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TUBB1 Q9H4B7 2/20 0.41
AOX1 Q06278 1/20 0.39
KRAS P01116 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKDC P78527 1/20 0.37
FDPS P14324 1/20 0.37

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
SCHEMBL1478225 0.88 ERN1 (0.47) ERN1ALDH1A1TSHRTUBB1AOX1
SCHEMBL911855 0.84 ERN1 (0.44) ERN1ALDH1A1TSHRTUBB1AOX1
SCHEMBL28057376 0.82 ERN1 (0.43) ERN1ALDH1A1TSHRTUBB1AOX1
SCHEMBL2628021 0.82 ERN1 (0.43) ERN1ALDH1A1TSHRTUBB1AOX1
SCHEMBL31813608 0.82 ERN1 (0.43) ERN1ALDH1A1TSHRTUBB1AOX1
SCHEMBL453409 0.82 ERN1 (0.43) ERN1ALDH1A1TSHRTUBB1AOX1
SCHEMBL23088033 0.81 ALDH1A1 (0.42) ERN1ALDH1A1TSHRCYP3A4AOX1
SCHEMBL1764794 0.81 ERN1 (0.42) ERN1ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL22902565 0.81 ERN1 (0.42) ERN1ALDH1A1TSHRTUBB1AOX1
SCHEMBL14147613 0.81 ERN1 (0.42) ERN1ALDH1A1TSHRTUBB1AOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026089784-A2 COMPOUNDS AND COMPOSITIONS FOR CONJUGATION TO BIOLIGANDS FOR IMAGING AND RADIOPHARMACEUTICAL APPLICATIONS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2026-04-30 WO disclosed
EP-4644390-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF Beyang Therapeutics Co., Ltd. (CN) 2025-11-05 EP disclosed
WO-2024140850-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-07-04 WO disclosed
CN-118055923-A Benzodiazepine derivatives as positive allosteric modulators of the GABAA γ1 receptor 豪夫迈·罗氏有限公司 2024-05-17 CN disclosed
US-20230339871-A1 COMPOUNDS AND METHODS OF MODULATING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 METREA BIOSCIENCES INC (US) 2023-10-26 US disclosed
EP-4200286-A1 COMPOUNDS AND METHODS OF MODULATING 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 Metrea Biosciences, Inc. (US) 2023-06-28 EP disclosed
CN-115916762-A Compounds and methods for modulating 17 beta-hydroxysteroid dehydrogenase type 13 梅特雷亚生物科学股份有限公司 2023-04-04 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022040324-A1 COMPOUNDS AND METHODS OF MODULATING 17β-ΗYDROXYSTEROID DEHYDROGENASE TYPE 13 METREA BIOSCIENCES, INC. (US) 2022-02-24 WO disclosed
US-20210292305-A1 Cyclic Ureas SIRONAX LTD (KY) 2021-09-23 US disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
EP-1753718-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES Pfizer Products Incorporated (US) 2007-02-21 EP disclosed
EP-1644356-A1 SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS Theravance, Inc. (US) 2006-04-12 EP disclosed
US-20050288358-A1 3-amino-2-phenylpyrrolidine derivatives PFIZER INC. 2005-12-29 US disclosed
WO-2005115976-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-12-08 WO disclosed
US-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2005-02-03 US disclosed
WO-2005007645-A1 SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS THERAVANCE, INC. (US) 2005-01-27 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 (6 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-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma CHRM5, CHRM3, CHRM1 ERN1 4677/4885ALDH1A1 1154/4885TSHR 912/4885
US-20050288358-A1 3-amino-2-phenylpyrrolidine derivatives PBK, KCND3, KCND2 ERN1 1888/4885ALDH1A1 1280/4885TSHR 2900/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B ERN1 4138/4885ALDH1A1 412/4885TSHR 222/4885
US-20230339871-A1 COMPOUNDS AND METHODS OF MODULATING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 HSD17B1, HSD17B13, HSD17B11 ERN1 2212/4885ALDH1A1 114/4885TSHR 2638/4885
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives CRY1, GPR119, MTNR1A ERN1 3701/4885ALDH1A1 351/4885TSHR 162/4885
US-20210292305-A1 Cyclic Ureas RIPK1, RIPK3, RIPK4 ERN1 10/4885ALDH1A1 3997/4885TSHR 1632/4885

“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.