SCHEMBL657344

SCHEMBL657344

Cc1ccccc1C1CC(=O)OC(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HPGD P15428 4/20 0.50
USP2 O75604 1/20 0.50
THRB P10828 1/20 0.50
HTR2C P28335 3/20 0.47
MAP1LC3B Q9GZQ8 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CTRB1 P17538 1/20 0.40
ALDH2 P05091 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 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
SCHEMBL426358 0.82 HTR2C (0.52) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7563304 0.78 TP53 (0.61) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL30472846 0.78 TP53 (0.61) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3029983 0.77 HTR2C (0.52) ALDH1A1HPGDHTR2CDDB1CRBN
SCHEMBL657211 0.77 BRD4 (0.51) ALDH1A1MAPTHTR2CMAP1LC3BCTRB1
SCHEMBL14580255 0.77 TP53 (0.65) ALDH1A1MAPTMEN1KMT2AHTR2C
SCHEMBL31121825 0.77 CTRB1 (0.47) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL18151388 0.77 MAP1LC3B (0.56) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL19212499 0.75 ALDH1A1 (0.72) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL658232 0.75 TAAR1 (0.43) ALDH1A1MAPTMEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB ALDH1A1 4784/4885MAPT 964/4885MEN1 2058/4885

“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.