SCHEMBL17173256

SCHEMBL17173256

COc1ccc(C(C)=O)cc1C#CCO

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HDAC11 Q96DB2 1/20 0.46
MAOB P27338 2/20 0.44
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
ADRB2 P07550 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL15417943 0.83 HDAC11 (0.45) ALDH1A1KMT2AMEN1HDAC11HTR1D
SCHEMBL7001839 0.78 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1HPGD
SCHEMBL17766854 0.76 ACHE (0.47) ALDH1A1KMT2AMEN1HTR1DHTR1B
SCHEMBL18031255 0.76 CA12 (0.56) ALDH1A1GAAMAPK1
SCHEMBL16545001 0.75 MAPT (0.51) ALDH1A1KMT2AMEN1HDAC11HPGD
SCHEMBL16478498 0.74 MAPT (0.50) ALDH1A1KMT2AMEN1HPGDGAA
SCHEMBL15435813 0.74 KMT2A (0.45) ALDH1A1KMT2AMEN1HDAC11L3MBTL1
SCHEMBL6487931 0.74 CA12 (0.53) ALDH1A1HDAC11HTR1DHTR1BHPGD
SCHEMBL25289661 0.73 HDAC11 (0.49) ALDH1A1KMT2AMEN1HDAC11HTR1D
SCHEMBL30506566 0.73 HDAC11 (0.49) ALDH1A1KMT2AMEN1HDAC11HTR1D

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
EP-3922628-A1 CYTOTOXIC COMPOUNDS INHIBITING TUBULIN POLYMERISATION Université Paris-Saclay (FR) 2021-12-15 EP disclosed
EP-3129368-B1 CYTOTOXIC COMPOUNDS WHICH ARE INHIBITORS OF THE POLYMERISATION OF TUBULIN CENTRE NAT RECH SCIENT (FR) 2021-09-22 EP disclosed
US-20170035761-A1 CYTOTOXIC COMPOUNDS WHICH ARE INHIBITORS OF THE POLYMERISATION OF TUBULIN CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-02-09 US disclosed
US-20170035761-A1 CYTOTOXIC COMPOUNDS WHICH ARE INHIBITORS OF THE POLYMERISATION OF TUBULIN CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-02-09 US disclosed
WO-2015155262-A1 CYTOTOXIC COMPOUNDS WHICH ARE INHIBITORS OF THE POLYMERISATION OF TUBULIN CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-10-15 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-20170035761-A1 CYTOTOXIC COMPOUNDS WHICH ARE INHIBITORS OF THE POLYMERISATION OF TUBULIN TUBB1, TUBB, TUBB3 ALDH1A1 2717/4885KMT2A 3531/4885MEN1 2504/4885

“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.