SCHEMBL1769710

SCHEMBL1769710

Cc1ccc(C=O)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 5/20 0.40
ALDH1A3 P47895 2/20 0.40
NOTUM Q6P988 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
TSHR P16473 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGS2 P35354 1/20 0.38
RAB9A P51151 1/20 0.38
APP P05067 2/20 0.37
ALKBH5 Q6P6C2 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
S1PR1 P21453 1/20 0.36
USP30 Q70CQ3 1/20 0.35
AOX1 Q06278 1/20 0.35
TRIM24 O15164 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
SCHEMBL18002550 0.88 NFE2L2 (0.46) KIF11ALDH1A1AKR1C3AKR1C2TAS2R14
SCHEMBL3559641 0.84 KIF11 (0.51) KIF11CYP2A6ALDH1A1ALDH1A3AKR1C3
SCHEMBL29417764 0.84 KIF11 (0.51) KIF11CYP2A6ALDH1A1ALDH1A3AKR1C3
SCHEMBL17341755 0.82 KIF11 (0.46) KIF11CYP2A6ALDH1A1ALDH1A3AKR1C3
SCHEMBL3831122 0.81 TRIM24 (0.46) KIF11ALDH1A1NOTUMAKR1C3AKR1C2
SCHEMBL18002882 0.81 AHR (0.46) KIF11NOTUMAKR1C3AKR1C2PTGS2
SCHEMBL472408 0.81 KIF11 (0.56) KIF11CYP2A6ALDH1A1AKR1C3AKR1C2
SCHEMBL16957018 0.80 TP53 (0.41) KIF11ALDH1A1NOTUMTAS2R14APP
SCHEMBL16953201 0.80 APP (0.40) NOTUMTAS2R14PTGS2APPALKBH5
SCHEMBL6855509 0.79 KIF11 (0.50) KIF11CYP2A6ALDH1A1ALDH1A3AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN claimed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US claimed
EP-4103557-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-02-18 EP disclosed
US-12502378-B2 Monoacylglycerol lipase modulators for use in autism spectrum disorders JANSSEN PHARMACEUTICA NV (BE) 2025-12-23 US disclosed
EP-4384165-B1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2025-07-09 EP disclosed
CN-115066422-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-11-22 CN disclosed
US-20240299365-A1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2024-09-12 US disclosed
EP-4384165-A1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS Janssen Pharmaceutica NV (BE) 2024-06-19 EP disclosed
CN-118076351-A Monoacylglycerol lipase modulators for autism spectrum disorders 詹森药业有限公司 2024-05-24 CN disclosed
US-11974987-B2 Monoacylglycerol lipase modulators for use in autism spectrum disorders JANSSEN PHARMACEUTICA NV (BE) 2024-05-07 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed
US-5245046-A α-amino-indole-3-acetic acids useful as anti-diabetic, anti-obesity and anti-atherosclerotic agents THE UPJOHN COMPANY (US) 1993-09-14 US disclosed
US-4946566-A PHOTOREDUCTION OF 9,10-PHENANTHRA-QUINONE AND DERIVATIVES CANADIAN PATENTS & DEVELOPMENT LTD. (CA) 1990-08-07 US disclosed
EP-0375133-A1 Alpha-amino-indole-3-acetic acids useful as anti-diabetic, anti-obesity and anti-atherosclerotic agents THE UPJOHN COMPANY (US) 1990-06-27 EP disclosed
WO-1990005721-A1 ALPHA-AMINO-INDOLE-3-ACETIC ACIDS USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1990-05-31 WO disclosed
EP-0116323-B1 PROCESS FOR THE PRODUCTION OF AROMATIC ALDEHYDES BAYER AG (DE) 1986-08-20 EP disclosed
US-4588844-A Process for preparing aromatic aldehydes BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 US disclosed
EP-0116323-A1 Process for the production of aromatic aldehydes BAYER AG (DE) 1984-08-22 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-11974987-B2 Monoacylglycerol lipase modulators for use in autism spectrum disorders LIPC, LPL, MGLL KIF11 3741/4885CYP2A6 683/4885ALDH1A1 266/4885
US-20240299365-A1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS LIPC, LPL, MGLL KIF11 3741/4885CYP2A6 683/4885ALDH1A1 266/4885
US-12502378-B2 Monoacylglycerol lipase modulators for use in autism spectrum disorders LIPC, LPL, MGLL KIF11 3741/4885CYP2A6 683/4885ALDH1A1 266/4885
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC KIF11 4625/4885CYP2A6 4487/4885ALDH1A1 4861/4885

“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.