SCHEMBL14871016

SCHEMBL14871016

Cc1ccc(Cc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ATM Q13315 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LTA4H P09960 1/20 0.51
IDO1 P14902 2/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOB P27338 2/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
SCN8A Q9UQD0 1/20 0.41
AR P10275 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL23416843 0.85 KDM4E (0.44) KDM4EATMNPSR1TDP1MEN1
SCHEMBL5380250 0.84 KDM4E (0.56) KDM4EATMNPSR1TDP1LTA4H
SCHEMBL6547955 0.83 TSHR (0.42) KDM4EATMNPSR1TDP1MEN1
SCHEMBL20882009 0.80 IDO1 (0.44) KDM4EATMNPSR1TDP1MEN1
SCHEMBL9403954 0.80 SLC6A2 (0.47) TDP1IDO1CYP3A4CYP2D6CYP2C19
SCHEMBL10786732 0.79 HDAC1 (0.50) KDM4EATMTDP1LTA4HIDO1
SCHEMBL6378299 0.76 POLB (0.51) MEN1KMT2ALTA4HIDO1CYP3A4
SCHEMBL2140027 0.76 HTR2A (0.54) TDP1LTA4HCYP3A4CYP2D6CYP2C19
SCHEMBL5000663 0.75 POLB (0.44) NPSR1TDP1MEN1KMT2AIDO1
SCHEMBL28534680 0.75 IDO1 (0.43) NPSR1TDP1MEN1KMT2AIDO1

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 KDM4E 1992/4885ATM 3816/4885NPSR1 348/4885

“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.