SCHEMBL426358

SCHEMBL426358

Cc1ccccc1C1CC(=O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.52
TP53 P04637 1/20 0.50
RECQL P46063 1/20 0.50
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
HPGD P15428 3/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.43
MAPT P10636 4/20 0.42
GAA P10253 1/20 0.42
GSK3B P49841 1/20 0.41
BACE1 P56817 1/20 0.41
PBRM1 Q86U86 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 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
SCHEMBL7563304 0.92 TP53 (0.61) HTR2CTP53RECQLDDB1CRBN
SCHEMBL30472846 0.92 TP53 (0.61) HTR2CTP53RECQLDDB1CRBN
SCHEMBL3029983 0.82 HTR2C (0.52) HTR2CDDB1CRBNHPGDGSK3B
SCHEMBL657344 0.82 ALDH1A1 (0.50) HTR2CDDB1CRBNHPGDMAP1LC3B
SCHEMBL28608577 0.81 HTR2C (0.47) HTR2CTP53RECQLDDB1CRBN
SCHEMBL3540165 0.79 HTR2C (0.58) HTR2CDDB1CRBNMAP1LC3BPBRM1
SCHEMBL25375621 0.79 TP53 (0.47) HTR2CTP53RECQLDDB1CRBN
SCHEMBL1225741 0.77 HTR2C (0.72) HTR2CDDB1CRBNHTR2AHTR2B
SCHEMBL25376749 0.77 TP53 (0.45) HTR2CTP53RECQLDDB1CRBN
SCHEMBL12676482 0.76 TP53 (0.53) HTR2CTP53RECQLHPGDMAPT

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
EP-2481735-A1 Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials Pfizer Inc. (US) 2012-08-01 EP disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
WO-2008139288-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS PFIZER INC. (US) 2008-11-20 WO disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 US disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 HTR2C 1935/4885TP53 2396/4885RECQL 27/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 HTR2C 1935/4885TP53 2396/4885RECQL 27/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 HTR2C 1935/4885TP53 2396/4885RECQL 27/4885

“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.