SCHEMBL321663

SCHEMBL321663

COc1ccc(C=O)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
TRIM24 O15164 1/20 0.56
TYR P14679 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
ERN1 O75460 1/20 0.51
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
EPHX2 P34913 3/20 0.43
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2A6 P11509 1/20 0.42
MAOB P27338 3/20 0.42
CYP24A1 Q07973 1/20 0.42

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
SCHEMBL28158091 0.86 ERN1 (0.56) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL3718244 0.82 GPR3 (0.41) ALDH1A1TRIM24TYRTRIM33MAPT
SCHEMBL3724491 0.81 ALDH1A3 (0.47) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL4056812 0.80 ALDH1A1 (0.59) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL8550194 0.79 AR (0.44) ALDH1A1ERN1MAPTLMNAGAA
SCHEMBL29169574 0.79 MAPT (0.38) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL1436514 0.79 CYP1A1 (0.46) ERN1MAPTCYP1A1CYP1B1LMNA
SCHEMBL6142741 0.78 SCN9A (0.44) ALDH1A1MAPTCYP1A2CYP2C19EPHX2
SCHEMBL18957656 0.78 LMNA (0.46) ALDH1A1ERN1MAPTCYP1A2CYP2C19
SCHEMBL2633927 0.78 GRIN2D (0.40) ALDH1A1MAPTCYP1A2CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9612542-B2 Electrostatic charge image developing toner, electrostatic charge image developer, and toner cartridge FUJI XEROX CO., LTD. (JP) 2017-04-04 US claimed
US-12552760-B2 Compounds for increasing the nicotinamide adenine dinucleotide in a subject and methods of use thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2026-02-17 US disclosed
US-20250138420-A1 ENHANCED EUV PHOTORESISTS AND METHODS OF THEIR USE IRRESISTIBLE MATERIALS LTD (GB) 2025-05-01 US disclosed
CN-119487452-A Enhanced EUV photoresist and method of use thereof 亚历克斯·P·G·罗宾逊 2025-02-18 CN disclosed
CN-117229244-A Orange ketone analogue and application thereof 中国科学院新疆理化技术研究所 2023-12-15 CN disclosed
WO-2023227950-A1 ENHANCED EUV PHOTORESISTS AND METHODS OF THEIR USE ROBINSON ALEX P G (GB) 2023-11-30 WO disclosed
US-20230365521-A1 COMPOUNDS FOR INCREASING THE NICOTINAMIDE ADENINE DINUCLEOTIDE IN A SUBJECT AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-11-16 US disclosed
CN-108602811-B FXR receptor agonists 轩竹生物科技有限公司 2021-11-16 CN disclosed
CN-111777530-B Method for catalyzing asymmetric Henry reaction of trifluoromethyl ketone 中国科学院上海有机化学研究所 2021-09-03 CN disclosed
CN-111777530-A Method for catalyzing asymmetric Henry reaction of trifluoromethyl ketone 中国科学院上海有机化学研究所 2020-10-16 CN disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 US disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 WO disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 WO disclosed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2009049165-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed
WO-2009049157-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 US disclosed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO disclosed
US-4730068-A SPECIAL EFFECT ON BREAST CANCER ASTA-WERKE AKTIENGESELLSCHAFT (DE) 1988-03-08 US disclosed
EP-0193055-A1 Antitumorals(1,2-diphenyl-ethylene diamine)-platinum (II) complexes ASTA Pharma AG (DE) 1986-09-03 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-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R ALDH1A1 708/4885TRIM24 3300/4885TYR 294/4885
US-20230365521-A1 COMPOUNDS FOR INCREASING THE NICOTINAMIDE ADENINE DINUCLEOTIDE IN A SUBJECT AND METHODS OF USE THEREOF NNT, NNMT, SIRT1 ALDH1A1 570/4885TRIM24 3378/4885TYR 3858/4885
US-12552760-B2 Compounds for increasing the nicotinamide adenine dinucleotide in a subject and methods of use thereof NNMT, NNT, SARM1 ALDH1A1 681/4885TRIM24 4114/4885TYR 4415/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R ALDH1A1 708/4885TRIM24 3300/4885TYR 294/4885

“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.