SCHEMBL486072

SCHEMBL486072

O=c1cc(C(F)(F)F)[nH]n1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.70
MAPT P10636 3/20 0.70
ALDH1A1 P00352 1/20 0.70
POLB P06746 1/20 0.70
BLM P54132 1/20 0.70
ATM Q13315 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
ALKBH5 Q6P6C2 3/20 0.49
MAOA P21397 4/20 0.47
MAOB P27338 4/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HTT P42858 2/20 0.43
TSHR P16473 2/20 0.43
MPI P34949 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL11478321 0.83 ALKBH5 (0.66) LMNAMAPTALDH1A1POLBBLM
SCHEMBL761304 0.83 MAPT (0.50) LMNAMAPTALDH1A1POLBBLM
SCHEMBL11483364 0.83 ALKBH5 (0.54) LMNAMAPTALDH1A1POLBBLM
SCHEMBL7247120 0.82 ALDH1A1 (1.00) LMNAMAPTALDH1A1POLBBLM
SCHEMBL11491891 0.79 NOX4 (0.47) LMNAMAPTALDH1A1POLBBLM
SCHEMBL3529810 0.78 MAPT (0.44) LMNAMAPTALDH1A1POLBBLM
SCHEMBL11484476 0.78 ALDH1A1 (0.48) LMNAMAPTALDH1A1POLBBLM
SCHEMBL7234970 0.78 MAPT (0.57) LMNAMAPTALDH1A1POLBBLM
SCHEMBL11478374 0.78 MAPT (0.48) LMNAMAPTALDH1A1POLBBLM
SCHEMBL11189675 0.77 MAPT (0.62) LMNAMAPTALDH1A1POLBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119064341-A Color reusable time temperature indicator and preparation method thereof 四川大学 2024-12-03 CN claimed
CN-118530180-A Di-heterocyclic compound containing trifluoromethyl pyrazolone and amino pyrazole skeleton and preparation thereof 上海大学 2024-08-23 CN claimed
CN-119064341-A Color reusable time temperature indicator and preparation method thereof 四川大学 2024-12-03 CN disclosed
CN-118530180-A Di-heterocyclic compound containing trifluoromethyl pyrazolone and amino pyrazole skeleton and preparation thereof 上海大学 2024-08-23 CN disclosed
CN-118530180-A Di-heterocyclic compound containing trifluoromethyl pyrazolone and amino pyrazole skeleton and preparation thereof 上海大学 2024-08-23 CN disclosed
CN-114933593-A Multi-heterocyclic compound containing trifluoromethyl pyrazolone structural unit, preparation method and application thereof 上海大学 2022-08-23 CN disclosed
CN-110128345-A A kind of preparation method of e derivatives 上海大学 2019-08-16 CN disclosed
CN-103951663-B Containing replacing the pyrazole amide of 1,3,4-thiadiazoles thioether and pyrazole imine analog derivative and preparation method and application 贵州大学 2016-08-17 CN disclosed
CN-103613583-B 1,3-substituting group-4-substituted pyrazolecarboxylic acylhydrazone and its preparation method and application GUIZHOU UNIVERSITY (CN) 2015-12-02 CN disclosed
EP-2145884-B1 INDOLEDIONE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
CN-103951663-A Pyrazole amide and pyrazole imine derivatives containing substituted 1, 3, 4-thiadiazole thioether as well as preparation method and application of derivatives UNIV GUIZHOU 2014-07-30 CN disclosed
US-6660867-B2 Squarylium compounds having spectroscopic properties, light resistance, solubility and thermal decomposition properties suitable for a recording material for DVD-R, and optical recording media using the same KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-12-09 US disclosed
US-20030187272-A1 Metal complex type squarylium compounds and optical recording media made by using the same KYOWA HAKKO CHEMICAL CO., LTD. (FORMERLY KYOWA YUKA CO., LTD.) (JP) 2003-10-02 US disclosed
EP-1334998-A1 METAL COMPLEX TYPE SQUARYLIUM COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-08-13 EP disclosed
US-6107487-A FREE OF WATER-SOLUBILIZING GROUPS; SUITABLE FOR THERMAL DYE TRANSFER AND FOR DYEING AND PRINTING SYNTHETIC MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2000-08-22 US disclosed
US-5677283-A α-heteroaryloxymethyl ketones as interleukin - 1 β converting enzyme inhibitors SANOFI (FR) 1997-10-14 US disclosed
US-5585357-A Heteroaryloxymethyl ketones as interleukin-1βconverting enzyme inhibitors SANOFI WINTHROP INC. (US) 1996-12-17 US disclosed
EP-0644198-A1 Alpha-heteroaryloxymethyl ketones as interleukin-1beta converting enzyme inhibitors STERLING WINTHROP INC. (US) 1995-03-22 EP disclosed
US-4440852-A Silver halide photographic light-sensitive material containing oxonal dyes KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1984-04-03 US disclosed
US-4212647-A Water-insoluble azo dyestuffs which are derivatives of 1-aryl-3-trifluoromethyl-5-pyrazolones PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1980-07-15 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 (1 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-20030187272-A1 Metal complex type squarylium compounds and optical recording media made by using the same DCLK2, DCLK3, DCLK1 LMNA 2752/4885MAPT 3668/4885ALDH1A1 2113/4885

“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.