SCHEMBL19259498

SCHEMBL19259498

CCc1ccccc1C(=O)Nc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.72
ALDH1A1 P00352 3/20 0.68
ADRB2 P07550 1/20 0.68
F2R P25116 1/20 0.66
HPGD P15428 2/20 0.62
CYP3A4 P08684 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 2/20 0.59
LMNA P02545 2/20 0.59
TP53 P04637 2/20 0.59
HTT P42858 2/20 0.59
HSD17B10 Q99714 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
TDP1 Q9NUW8 2/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
METAP2 P50579 1/20 0.56

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
SCHEMBL5595491 0.88 ALDH1A1 (0.71) BCAT2ALDH1A1ADRB2F2RHPGD
SCHEMBL27348350 0.86 LMNA (0.66) BCAT2ALDH1A1ADRB2F2RMEN1
SCHEMBL28244196 0.86 HPGD (0.60) BCAT2ALDH1A1ADRB2F2RHPGD
SCHEMBL1193435 0.85 BCAT2 (0.72) BCAT2ALDH1A1ADRB2HPGDCYP3A4
SCHEMBL6271944 0.85 ALDH1A1 (0.68) BCAT2ALDH1A1ADRB2F2RHPGD
SCHEMBL3744047 0.84 ALDH1A1 (0.66) BCAT2ALDH1A1ADRB2F2RHPGD
SCHEMBL18397802 0.84 BCAT2 (0.70) BCAT2ALDH1A1ADRB2HPGDCYP3A4
SCHEMBL27819009 0.84 BCAT2 (0.70) BCAT2ALDH1A1ADRB2F2RHPGD
SCHEMBL8971238 0.82 ALDH1A1 (0.73) BCAT2ALDH1A1ADRB2HPGDCYP3A4
SCHEMBL1072315 0.82 ALDH1A1 (0.73) BCAT2ALDH1A1ADRB2HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION AMGEN INC. (US) 2023-11-16 US disclosed
EP-3672938-A1 COMPOSITIONS AND METHODS FOR AMELIORATING PAIN The Board of Supervisors of Louisiana State University and Agricultural and Mechanical College (US) 2020-07-01 EP disclosed
WO-2019040122-A1 COMPOSITIONS AND METHODS FOR AMELIORATING PAIN THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2019-02-28 WO disclosed
EP-3416954-A1 A PROCESS FOR THE PREPARATION OF PROPYLENE OXIDE BASF SE (DE) 2018-12-26 EP disclosed
WO-2017140774-A1 A PROCESS FOR THE PREPARATION OF PROPYLENE OXIDE BASF SE (DE) 2017-08-24 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 (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-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION MCL1, BAK1, BCL2A1 BCAT2 3581/4885ALDH1A1 393/4885ADRB2 2300/4885

“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.