SCHEMBL1049879

SCHEMBL1049879

CC1=Nc2cccc(C)c2C1(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CD44 P16070 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MCL1 Q07820 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL31461336 1.00 MEN1 (0.55) MEN1KMT2ACD44CYP1A2CYP2A6
Phosphoric Acid SCHEMBL29008757 0.89 MEN1 (0.46) MEN1KMT2AALDH1A1
SCHEMBL28972004 0.79 MEN1 (0.40) MEN1KMT2ACD44CYP1A2CYP2A6
SCHEMBL4697734 0.79 MEN1 (0.51) MEN1KMT2AGAAMAPTMCL1
SCHEMBL5273065 0.79 MEN1 (0.51) MEN1KMT2ACYP1A2CYP2A6GAA
SCHEMBL2057766 0.79 MEN1 (0.51) MEN1KMT2AGAAMAPTMCL1
SCHEMBL14963003 0.79 MEN1 (0.65) MEN1KMT2ACYP1A2CYP2A6ALDH1A1
SCHEMBL28857151 0.75 KMT2A (0.51) MEN1KMT2ACYP2A6GAAMAPT
SCHEMBL4349057 0.75 MEN1 (0.51) MEN1KMT2A
SCHEMBL28855115 0.74 KMT2A (0.36) MEN1KMT2AGAAALDH1A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112940519-B Light-stable heptamethine cyanine fluorescent dye and synthesis method and application thereof 中国科学院大连化学物理研究所 2023-03-31 CN claimed
CN-117447636-A Photo/mechanochromatic material and preparation method and application thereof 中国科学技术大学 2024-01-26 CN disclosed
CN-114441467-B Dual-mode probe and application thereof 山东大学 2023-06-09 CN disclosed
CN-112940519-B Light-stable heptamethine cyanine fluorescent dye and synthesis method and application thereof 中国科学院大连化学物理研究所 2023-03-31 CN disclosed
CN-110041305-A Half cyanines fluorescence probe of indoles, preparation method and the application in cyanide ion detection 三峡大学 2019-07-23 CN disclosed
CN-107629036-A A kind of fluorescence probe of visual detection copper ion and its preparation method and application 贺州学院 2018-01-26 CN disclosed
CN-103044406-B Coumarin derivatives and preparation method thereof and the application in detection cyanide ion SHANXI JINHUA STEEL SURFACE TECHNOLOGY RESEARCH INSTITUTE (CN) 2015-09-16 CN disclosed
CN-103251513-A Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition OREAL 2013-08-21 CN disclosed
CN-103044406-A Coumarin derivative and preparation method and application in detecting cyanide ion SHANXI JINHUA STEEL SURFACE TECHNOLOGY RES INST 2013-04-17 CN disclosed
CN-102702226-A Preparation of novel spirooxazine compound and photochromic property improvement thereof HUNAN COLLEGE TRADITIONAL CHINESE MEDICINE 2012-10-03 CN disclosed
US-8034125-B2 Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition L'OREAL S.A. (FR) 2011-10-11 US disclosed
EP-2205681-B1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION OREAL (FR) 2011-08-31 EP disclosed
US-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL S.A. (FR) 2011-01-27 US disclosed
CN-101802107-A Dye composition comprising at least one colourless disulfide/thiol precursor and dyeing process using said composition OREAL 2010-08-11 CN disclosed
EP-2205681-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'Oreal (FR) 2010-07-14 EP disclosed
WO-2009040354-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL (FR) 2009-04-02 WO disclosed
CN-1148433-C Photochromic spirooxazine compound bound with moleculae of antioxidizing agent and its preparing process and use 中国科学院感光化学研究所 2004-05-05 CN disclosed
CN-1312249-A Preparation of asymmetric cyanine dyes for DVD-R CD HUADONG SCIENCE & ENGINEERING (CN) 2001-09-12 CN 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-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION KRT18, SQOR, TST MEN1 4336/4885KMT2A 2387/4885CD44 495/4885

“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.