SCHEMBL514837

SCHEMBL514837

Oc1cccc2cc3ccccc3c(S)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
DNMT1 P26358 1/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
MCL1 Q07820 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
CYP1A2 P05177 3/20 0.48
MAOA P21397 3/20 0.46
ERBB2 P04626 1/20 0.46
FYN P06241 1/20 0.46
ACHE P22303 1/20 0.46
AHR P35869 1/20 0.46
TRPM4 Q8TD43 1/20 0.45
NQO2 P16083 1/20 0.44
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 2/20 0.43

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
SCHEMBL5598124 0.80 MEN1 (0.72) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL30066036 0.80 MEN1 (0.72) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL31035951 0.80 MEN1 (0.72) ALDH1A1MEN1KMT2ADNMT1CACNA1B
Methane SCHEMBL7938130 0.78 MEN1 (0.69) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL1556427 0.77 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL27615312 0.77 CYP1A2 (0.52) ALDH1A1CYP1A2MAOAERBB2FYN
SCHEMBL2779798 0.76 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ACYP1A2MAOA
Anthracene SCHEMBL28076700 0.74 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL7938127 0.74 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL28352156 0.74 CYP1A2 (0.61) ALDH1A1MEN1KMT2ADNMT1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027555-B1 METHOD FOR EXFOLIATING GRAPHITE ASSISTED BY A DIELS-ALDER REACTION UNIV BORDEAUX (FR) 2023-05-24 EP disclosed
US-9849196-B2 Methods and compositions for altering photophysical properties of fluorophores via proximal quenching CORNELL UNIVERSITY (US) 2017-12-26 US disclosed
US-9718692-B2 Method for exfoliating carbonaceous materials containing graphite, assisted by a Diels-Alder reaction UNIVERSITÉ DE BORDEAUX (FR) 2017-08-01 US disclosed
US-9631096-B2 Dye compositions, methods of preparation, conjugates thereof, and methods of use CORNELL UNIVERSITY (US) 2017-04-25 US disclosed
US-20160194207-A1 METHOD FOR EXFOLIATING CARBONACEAOUS MATERIALS CONTAINING GRAPHITE, ASSISTED BY A DIELS-ALDER REACTION INSTITUT POLYTECHNIQUE DE BORDEAUX (FR) 2016-07-07 US disclosed
EP-3027555-A2 METHOD FOR EXFOLIATING CARBONACEOUS MATERIALS CONTAINING GRAPHITE, ASSISTED BY A DIELS-ALDER REACTION Université de Bordeaux (FR) 2016-06-08 EP disclosed
US-20150328340-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERTIES OF FLUOROPHORES VIA PROXIMAL QUENCHING CORNELL UNIVERSITY (US) 2015-11-19 US disclosed
US-8945515-B2 Methods and compositions for altering photophysical properties of fluorophores via proximal quenching CORNELL UNIVERSITY (US) 2015-02-03 US disclosed
US-20150011731-A1 DYE COMPOSITIONS, METHODS OF PREPARATION, CONJUGATES THEREOF, AND METHODS OF USE CORNELL UNIVERSITY (US) 2015-01-08 US disclosed
WO-2013109859-A1 DYE COMPOSITIONS, METHODS OF PREPARATION, CONJUGATES THEREOF, AND METHODS OF USE CORNELL UNIVERSITY (US) 2013-07-25 WO disclosed
US-20120027689-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERITES OF FLUOROPHORES VIA PROXIMAL QUENCHING CORNELL UNIVERSITY (US) 2012-02-02 US disclosed
WO-2010096720-A2 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERTIES OF FLUOROPHORES VIA PROXIMAL QUENCHING CORNELL UNIVERSITY (US) 2010-08-26 WO 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 (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-20120027689-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERITES OF FLUOROPHORES VIA PROXIMAL QUENCHING APEX1, PPOX, PRDX5 ALDH1A1 525/4885MEN1 1703/4885KMT2A 3610/4885
US-20150328340-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERTIES OF FLUOROPHORES VIA PROXIMAL QUENCHING APEX1, ARFGEF1, PRDX3 ALDH1A1 800/4885MEN1 2436/4885KMT2A 3737/4885

“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.