SCHEMBL14871014

SCHEMBL14871014

COCCN(Cc1cc(Cl)cc(Cl)c1O)Cc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.41
ERBB2 P04626 4/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP1A2 P05177 4/20 0.40
CYP2C9 P11712 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
HIF1A Q16665 1/20 0.40
ACLY P53396 2/20 0.40
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
PRMT1 Q99873 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CRHR1 P34998 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
SCHEMBL16153732 0.81 CYP1A2 (0.45) EGFRERBB2HSP90AA1CYP1A2CYP2C9
SCHEMBL30810286 0.79 ALDH1A1 (0.55) HSD17B10ACLYCYP3A4ALDH1A1TSHR
SCHEMBL3214124 0.74 HSD17B10 (0.50) EGFRERBB2HSP90AA1CYP1A2CYP2C9
SCHEMBL13186081 0.73 MEN1 (0.39) EGFRERBB2ALDH1A1TSHRMEN1
SCHEMBL15702597 0.71 EGFR (0.60) EGFRERBB2HSP90AA1CYP1A2CYP2C9
SCHEMBL12305659 0.70 CYP1A2 (0.53) EGFRERBB2HSP90AA1CYP1A2CYP2C9
SCHEMBL13219272 0.69 HSP90AA1 (0.44) EGFRERBB2HSP90AA1CYP1A2CYP2C9
SCHEMBL13186086 0.69 CYP2C19 (0.47) HSP90AA1CYP1A2CYP2C9HSD17B10CYP2D6
SCHEMBL9993152 0.68 HSD17B10 (0.56) EGFRERBB2HSP90AA1CYP1A2CYP2C9
SCHEMBL13888086 0.68 HSD17B10 (0.56) EGFRERBB2HSP90AA1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303333-A1 IRON BISPHENOLATE COMPLEXES AND METHODS OF USE AND SYNTHESIS THEREOF UNIV PRINCE EDWARD ISLAND (CA) 2014-10-09 US disclosed
US-20140303333-A1 IRON BISPHENOLATE COMPLEXES AND METHODS OF USE AND SYNTHESIS THEREOF UNIV PRINCE EDWARD ISLAND (CA) 2014-10-09 US disclosed
WO-2013053046-A1 IRON BISPHENOLATE COMPLEXES AND METHODS OF USE AND SYNTHESIS THEREOF UNIVERSITY OF PRINCE EDWARD ISLAND (CA) 2013-04-18 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-20140303333-A1 IRON BISPHENOLATE COMPLEXES AND METHODS OF USE AND SYNTHESIS THEREOF TFRC, PCBP1, FECH EGFR 2482/4885ERBB2 1959/4885HSP90AA1 3222/4885

“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.