SCHEMBL13991817

SCHEMBL13991817

O=C1OC(=O)c2c1c(F)c1cc[nH]c1c2F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.36
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PARP1 P09874 4/20 0.33
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PARP15 Q460N3 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL13991816 0.73 ALOX15 (0.42) KDM4EHSD17B10SMN1; SMN2PARP1ALDH1A1
SCHEMBL820394 0.71 CCR8 (0.37) CCR8KMT2AKDM4EHSD17B10SMN1; SMN2
SCHEMBL27560570 0.69 CCR8 (0.36) CCR8KMT2A
SCHEMBL2086766 0.66 PARP1 (0.65) CCR8KMT2AKDM4EHSD17B10PARP1
SCHEMBL29362800 0.65 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1LMNARAB9ATDP1
SCHEMBL335922 0.65 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1LMNARAB9ATDP1
SCHEMBL18876060 0.64 CCR8 (0.32) CCR8KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL13991819 0.64 MAOA (0.33) KMT2AKDM4EALDH1A1LMNACYP1A2
SCHEMBL28010990 0.63 PARP1 (0.56) PARP1BRD4TDP1
SCHEMBL13991815 0.63 F7 (0.41) KDM4EPARP1LMNACYP1A2CYP3A4

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-20080305082-A1 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof NOVACEA, INC. 2008-12-11 US disclosed
US-20080305082-A1 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof NOVACEA, INC. 2008-12-11 US disclosed
WO-2008103320-A1 METHODS OF TREATING OPHTHALMIC DISORDERS WITH ANTHRAQUINONES NOVACEA, INC. (US) 2008-08-28 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-20080305082-A1 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof RB1, BRCA1, CCNA1 CCR8 3894/4885KMT2A 2369/4885KDM4E 1191/4885

“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.