SCHEMBL13320162

SCHEMBL13320162

Cc1ccc(OCC(=O)NO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.73
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
HPGD P15428 1/20 0.61
MAPT P10636 2/20 0.59
HTT P42858 1/20 0.56
GAA P10253 1/20 0.56
GALR3 O60755 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL171840 0.85 MEN1 (0.61) HDAC1MEN1KMT2AHPGDMAPT
SCHEMBL11872758 0.83 ALDH1A1 (0.63) HDAC1MEN1KMT2AHPGDMAPT
SCHEMBL8290704 0.82 ALDH1A1 (0.61) MEN1KMT2AMAPTALDH1A1
SCHEMBL7511572 0.81 MEN1 (0.88) MEN1KMT2AHPGDMAPTHTT
SCHEMBL19002729 0.81 RAB9A (0.69) HDAC1MEN1KMT2AHPGDMAPT
SCHEMBL14410496 0.81 MEN1 (0.58) HDAC1MEN1KMT2AHPGDMAPT
SCHEMBL31504023 0.81 MEN1 (0.88) MEN1KMT2AHPGDMAPTHTT
SCHEMBL19275848 0.81 HDAC1 (0.51) HDAC1MEN1KMT2AALDH1A1
SCHEMBL1255820 0.81 ATF4 (0.63) MEN1KMT2AALDH1A1
SCHEMBL1257639 0.81 LMNA (0.63) MEN1KMT2AHPGDGAA

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-20180019402-A1 FORMATION OF CARBON NANOTUBE-CONTAINING DEVICES INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-01-18 US disclosed
US-7727505-B2 Methods for separating carbon nanotubes by enhancing the density differential INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-06-01 US disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US disclosed
US-20090291041-A1 METHODS FOR SEPERATING CARBON NANOTUBES BY ENHANCING THE DENSITY DIFFERENTIAL INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-11-26 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 (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-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS HELZ, MMEL1, GAA HDAC1 28/4885MEN1 3212/4885KMT2A 764/4885

“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.