SCHEMBL10077334

SCHEMBL10077334

CN(C)CCOCCOCCOCCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TSHR P16473 2/20 0.53
MAPK1 P28482 1/20 0.53
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
MAPT P10636 2/20 0.48
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL232568 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1CA12
SCHEMBL29378937 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1CA12
SCHEMBL25781 0.97
Ammonia Solution, Strong SCHEMBL2634895 0.95 TSHR (0.53) MEN1KMT2ATSHRMAPK1CA12
Ethylene Glycol SCHEMBL12004364 0.95 TSHR (0.53) MEN1KMT2ATSHRMAPK1CA12
Dimethylaminoethanol SCHEMBL16991084 0.92 MAPT (0.60) MEN1KMT2ATSHRMAPK1CA12
Triethylene Glycol SCHEMBL16685287 0.90 MAPT (0.63) MEN1KMT2ATSHRMAPK1CA12
Ethylene Glycol SCHEMBL3117974 0.89 MAPT (0.53) MEN1KMT2ATSHRMAPK1CA12
Di(Hydroxyethyl)Ether SCHEMBL16685272 0.86 MAPT (0.67) MEN1KMT2ATSHRMAPK1CA12
SCHEMBL23931420 0.86 TSHR (0.43) MEN1KMT2ATSHRMAPK1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220118086-A1 INTEGRIN AGONISTS OR ACTIVATING COMPOUNDS AND METHODS FOR MAKING AND USING SAME 7 Hills Pharma LLC (US) 2022-04-21 US disclosed
CN-109312040-B Polyurethane foam sheet, method for producing same, and method for producing laminate DIC株式会社 2021-04-16 CN disclosed
EP-2598507-B1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2017-05-31 EP disclosed
US-9056914-B2 Anticancer derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-06-16 US disclosed
US-9056914-B2 Anticancer derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-06-16 US disclosed
US-20130137659-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-30 US disclosed
US-20130137659-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-30 US disclosed
WO-2012014147-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-02 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-20220118086-A1 INTEGRIN AGONISTS OR ACTIVATING COMPOUNDS AND METHODS FOR MAKING AND USING SAME ICOS, CD47, CD274 MEN1 2690/4885KMT2A 1028/4885TSHR 708/4885
US-20130137659-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MCL1, TP53, MYC MEN1 1049/4885KMT2A 3275/4885TSHR 4553/4885

“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.