SCHEMBL8772746

SCHEMBL8772746

O=C(CCCI)Nc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 14/20 0.66
HDAC1 Q13547 14/20 0.66
HDAC7 Q8WUI4 14/20 0.66
HDAC11 Q96DB2 14/20 0.66
HDAC8 Q9BY41 14/20 0.66
HDAC6 Q9UBN7 14/20 0.66
HDAC9 Q9UKV0 14/20 0.66
HDAC5 Q9UQL6 14/20 0.66
HDAC3 O15379 13/20 0.66
HDAC2 Q92769 13/20 0.66
HDAC10 Q969S8 13/20 0.66
CYP3A4 P08684 2/20 0.66
NCOR1 O75376 2/20 0.66
NCOR2 Q9Y618 2/20 0.66
KDM4E B2RXH2 1/20 0.66
BRD4 O60885 1/20 0.66
NR1I2 O75469 1/20 0.66
EGFR P00533 1/20 0.66
LTA4H P09960 1/20 0.66
NR0B1 P51843 1/20 0.66

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
SCHEMBL8172506 0.94 HDAC4 (0.69) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL22560048 0.88 L3MBTL1 (0.63) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6296181 0.88 HDAC4 (0.75) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL517309 0.88 HDAC4 (0.81) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL7842320 0.86 HDAC4 (0.68) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6665592 0.86 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6669511 0.86 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1065393 0.86 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL137348 0.86 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL7837978 0.85 HDAC4 (0.71) HDAC4HDAC1HDAC7HDAC11HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208606-B2 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol SHELL OIL COMPANY (US) 2007-04-24 US disclosed
US-7208606-B2 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol SHELL OIL COMPANY (US) 2007-04-24 US disclosed
US-7186868-B2 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol SHELL OIL COMPANY (US) 2007-03-06 US disclosed
US-7186868-B2 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol SHELL OIL COMPANY (US) 2007-03-06 US disclosed
US-20070032687-A1 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol SHELL USA, INC. 2007-02-08 US disclosed
US-20070032687-A1 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol SHELL USA, INC. 2007-02-08 US disclosed
US-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US disclosed
EP-0654032-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1997-10-15 EP disclosed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 EP disclosed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 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-20070032687-A1 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol ADH1C, ADH1A, ADH5 HDAC4 3823/4885HDAC1 4763/4885HDAC7 4717/4885

“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.