Sugi Predict

Sugi Predict / Compounds / SCHEMBL4436061

SCHEMBL4436061

SCHEMBL4436061

O=CCOc1ccccc1.OBO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ KCNA3 P22001 1/20 0.43
▸ PKM P14618 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ AOC2 O75106 2/20 0.38
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38

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
SCHEMBL50487 0.91 AOC3 (0.54) AOC3ALOX15CYP2C9CYP2C19ALDH1A1
SCHEMBL15401251 0.89 AOC3 (0.52) AOC3ALOX15CYP2C9CYP2C19ALDH1A1
SCHEMBL6658911 0.89 AOC3 (0.52) AOC3ALOX15CYP2C9CYP2C19ALDH1A1
SCHEMBL28366510 0.89 AOC3 (0.52) AOC3ALOX15CYP2C9CYP2C19ALDH1A1
Ethane SCHEMBL28278611 0.87 AOC3 (0.50) AOC3ALOX15CYP2C9CYP2C19ALDH1A1
Phenol SCHEMBL17941255 0.86 DRD4 (0.47) AOC3ALOX15CYP2C9CYP2C19ALDH1A1
Phenylethyl Alcohol SCHEMBL28230089 0.83 TDP1 (0.55) AOC3ALOX15ALDH1A1RECQLDRD2
SCHEMBL7803423 0.83 LTA4H (0.55) AOC3MAOAMAOB
Anisole SCHEMBL28746426 0.82 CA4 (0.56) AOC3CYP2C9CYP2C19ALDH1A1KCNA3
SCHEMBL2726596 0.79 CA12 (0.42) AOC3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2620429-A1 Hydroxylamine compounds and methods of their use Colby Pharmaceutical Company (US) 2013-07-31 — — EP disclosed
EP-2125716-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE Othera Holding, Inc. (US) 2009-12-02 — — EP disclosed
EP-2120942-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE Othera Holding, Inc. (US) 2009-11-25 — — EP disclosed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 — — US disclosed
WO-2008103613-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE OTHERA HOLDING, INC. (US) 2008-08-28 — — WO disclosed
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease COLBY PHARMACEUTICAL COMPANY 2008-08-21 — — US disclosed
WO-2008101195-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE OTHERA HOLDING, INC. (US) 2008-08-21 — — 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 (2 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-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE HDGF, HMOX1, HMOX2 AOC3 178/4885ALOX15 63/4885CYP2C9 1924/4885
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease VHL, ABCC1, SLC11A2 AOC3 2581/4885ALOX15 1162/4885CYP2C9 2176/4885

“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.