SCHEMBL14484747

SCHEMBL14484747

CCOC(=O)CCc1ccc(I)c(O)c1I

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.51
▸ CYP4A11 Q02928 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ CYP4Z1 Q86W10 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP4F11 Q9HBI6 1/20 0.39
▸ CYP4F12 Q9HCS2 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37

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
SCHEMBL16124487 0.79 IAPP (0.50) ALDH1A1CYP1A2CYP3A4SMN1; SMN2MAPT
SCHEMBL17284798 0.77 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1GAACYP4Z1
SCHEMBL490361 0.76 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1GAACYP4Z1
SCHEMBL16124503 0.76 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL7316312 0.75 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1GAACYP4Z1
SCHEMBL3866618 0.74 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1GAACYP4Z1
Hydrochloric Acid SCHEMBL7316301 0.74 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1GAACYP4Z1
SCHEMBL1886489 0.74 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL16501685 0.73 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL69660 0.73 CYP4F2 (0.86) CYP4F2CYP4A11ALDH1A1GAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288077-A1 SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-09-25 — — US disclosed
US-20140288077-A1 SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-09-25 — — US disclosed
US-20140288077-A1 SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-09-25 — — US disclosed
WO-2013006734-A1 SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2013-01-10 — — 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-20140288077-A1 SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY MKI67, PCNA, PCLAF CYP4F2 2463/4885CYP4A11 544/4885ALDH1A1 2933/4885

“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.

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