SCHEMBL1044982

SCHEMBL1044982

Cc1ccc2ccccc2[n+]1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.47
KMT2A Q03164 5/20 0.43
POLB P06746 4/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
BCHE P06276 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 2/20 0.40
HTT P42858 2/20 0.40
RECQL P46063 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL30929898 1.00 ACHE (0.47) ACHEKMT2APOLBKDM4EALDH1A1
Iodide SCHEMBL30841278 0.98 ACHE (0.50) ACHEKMT2APOLBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6339464 0.98 ACHE (0.46) ACHEKMT2APOLBKDM4EALDH1A1
Iodide SCHEMBL2031115 0.98 ACHE (0.50) ACHEKMT2APOLBKDM4EALDH1A1
SCHEMBL6331349 0.92 ACHE (0.44) ACHEKMT2APOLBKDM4EALDH1A1
SCHEMBL382590 0.82 KDM4E (0.48) ACHEKMT2APOLBKDM4EALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL4881196 0.81 KDM4E (0.47) ACHEKDM4EALDH1A1GAAHPGD
SCHEMBL25630954 0.80 MEN1 (0.44) ACHEKMT2AKDM4EALDH1A1HPGD
SCHEMBL1001565 0.80 KDM4E (0.46) POLBKDM4EALDH1A1GAAHPGD
SCHEMBL15879007 0.79 ALDH1A1 (0.45) KMT2AKDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146150-A Fluorescent probe for detecting hypochlorous acid and preparation and application thereof 上海应用技术大学 2024-06-07 CN claimed
CN-117586245-A DNA fluorescent probe and preparation method and application thereof 云南大学 2024-02-23 CN claimed
US-20170137418-A1 SMALL MOLECULAR PROBES, PROCESSES AND USE THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2017-05-18 US claimed
EP-3126357-A2 SMALL MOLECULAR PROBES, PROCESSES AND USE THEREOF Jawaharlal Nehru Centre For Advanced Scientific Research (IN) 2017-02-08 EP claimed
WO-2015151071-A2 SMALL MOLECULAR PROBES, PROCESSES AND USE THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2015-10-08 WO claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
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 claimed
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 claimed
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 claimed
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 claimed
WO-2006131163-A1 MULTICOMPONENT COMPOSITION FOR DYEING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO claimed
EP-1235549-B1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KGAA (DE) 2006-11-29 EP claimed
EP-1433469-B1 Composition for dyeing keratinous fibres HENKEL KGAA (DE) 2006-10-11 EP claimed
EP-1300134-B1 Agent for dyeing keratinous fibres with isophthalaldehydes HENKEL KGAA (DE) 2006-04-26 EP claimed
EP-1200051-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2006-02-01 EP claimed
US-6790239-B1 COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-09-14 US claimed
US-6770102-B1 AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS; DOES NOT REQUIRE OXIDIZING AGENT; BRILLIANCE; COLOR DEPTH; WIDE VARIETY OF SHADES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-08-03 US claimed
EP-1235549-A1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-09-04 EP claimed
WO-2001034106-A1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-05-17 WO claimed
US-4287335-A WHEREIN SAID COMPOUND IS A STYRYLPYRIDINIUM SALT OR A STYRYLQUINOLINIUM SALT USEFUL IN PRODUCING A PHOTOSENSITIVE RESIN AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1981-09-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20170137418-A1 SMALL MOLECULAR PROBES, PROCESSES AND USE THEREOF APBA1, APP, PRNP ACHE 495/4885KMT2A 3252/4885POLB 102/4885
US-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION KRT18, SQOR, TST ACHE 1445/4885KMT2A 2387/4885POLB 1082/4885

“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.