SCHEMBL14050010

SCHEMBL14050010

O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)oc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
PTGER4 P35408 1/20 0.47
HPGD P15428 1/20 0.46
DGAT1 O75907 1/20 0.46
PDE4A P27815 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MCHR1 Q99705 1/20 0.44
ACMSD Q8TDX5 3/20 0.44
HNF4A P41235 2/20 0.44
DHFR P00374 1/20 0.44
MCL1 Q07820 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
KLKB1 P03952 1/20 0.41
SMO Q99835 1/20 0.41
PTPN1 P18031 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41

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
SCHEMBL595184 0.97 ALDH1A1 (0.54) ALDH1A1KDM4EPTGER4HPGDDGAT1
SCHEMBL5860864 0.88 FFAR1 (0.46) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL2063655 0.86 NPC1 (0.61) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL897655 0.86 PTPN1 (0.45) ALDH1A1KDM4EHPGDDGAT1NPC1
SCHEMBL899090 0.84 DGAT1 (0.46) ALDH1A1KDM4EPTGER4HPGDDGAT1
SCHEMBL24951717 0.84 ALDH1A1 (0.52) ALDH1A1KDM4E
SCHEMBL29742811 0.84 ALDH1A1 (0.52) ALDH1A1KDM4E
SCHEMBL898489 0.82 MAPT (0.52) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL31223833 0.79 XDH (0.51) ALDH1A1KDM4E
SCHEMBL31223858 0.79 DHODH (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery NEW YORK SOCIETY FOR THE RUPTURED AND CRIPPLED MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY (US) 2008-10-23 US 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-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery BMP1, BMP2, BMP4 ALDH1A1 4299/4885KDM4E 2737/4885PTGER4 3441/4885

“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.