SCHEMBL9856924

SCHEMBL9856924

Cc1ccc(C(=O)c2c(C)cc(C)cc2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
LMNA P02545 3/20 0.65
KMT2A Q03164 4/20 0.62
HPGD P15428 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 3/20 0.62
NPSR1 Q6W5P4 3/20 0.62
MCOLN3 Q8TDD5 1/20 0.62
SRD5A2 P31213 2/20 0.56
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
AKR1C3 P42330 1/20 0.47
HTT P42858 3/20 0.46
PKM P14618 2/20 0.46
ATM Q13315 2/20 0.46
GAA P10253 2/20 0.46
NLRP1 Q9C000 1/20 0.46
NTSR1 P30989 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL28274214 0.95 KMT2A (0.67) ALDH1A1LMNAKMT2AHPGDSMN1; SMN2
SCHEMBL28242772 0.93 KMT2A (0.65) ALDH1A1LMNAKMT2AHPGDSMN1; SMN2
SCHEMBL3288949 0.90 LMNA (0.59) ALDH1A1LMNAKMT2AHPGDSMN1; SMN2
Bicarbonate SCHEMBL2149155 0.89 LMNA (0.57) ALDH1A1LMNAKMT2AHPGDSMN1; SMN2
SCHEMBL11495001 0.88 LMNA (0.56) ALDH1A1LMNAKMT2AHPGDSMN1; SMN2
SCHEMBL10988695 0.87 SRD5A2 (0.63) ALDH1A1LMNAKMT2AHPGDSMN1; SMN2
SCHEMBL9726573 0.85 KMT2A (0.57) ALDH1A1LMNAKMT2AHPGDSMN1; SMN2
SCHEMBL7264522 0.85 HPGD (0.57) ALDH1A1LMNAKMT2AHPGDSMN1; SMN2
SCHEMBL50648 0.84 KMT2A (0.56) ALDH1A1LMNAKMT2AHPGDSMN1; SMN2
Formic Acid SCHEMBL2149150 0.84 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AHPGDSMN1; SMN2

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-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2020-05-14 US disclosed
US-10538509-B2 Decarboxylative cross-coupling and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-01-21 US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 US disclosed
WO-2015153381-A2 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-10-08 WO disclosed
EP-0426846-A1 FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-15 EP disclosed
US-4054682-A COATINGS, PRINTING INKS BASF AKTIENGESELLSCHAFT (DT) 1977-10-18 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 (3 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-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC ALDH1A1 149/4885LMNA 4743/4885KMT2A 1610/4885
US-10538509-B2 Decarboxylative cross-coupling and applications thereof PPOX, DDC, DDO ALDH1A1 130/4885LMNA 4676/4885KMT2A 1237/4885
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC ALDH1A1 149/4885LMNA 4743/4885KMT2A 1610/4885

“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.