SCHEMBL6001844

SCHEMBL6001844

COc1ccc(Oc2nc(-c3ccc(F)cc3)cc3ccccc23)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDO2 P48775 2/20 0.47
IDO1 P14902 1/20 0.47
SQOR Q9Y6N5 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
ACP1 P24666 2/20 0.45
SLC10A2 Q12908 1/20 0.44

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
SCHEMBL6001397 0.92 TDO2 (0.46) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6001934 0.81 KDM4E (0.64) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6001192 0.80 MAPT (0.60) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6001858 0.80 HSD17B1 (0.41) TRPA1CYP1A2CYP2C9CYP2C19TDO2
SCHEMBL6001691 0.78 KDM4E (0.47) CYP1A2CYP2C9CYP2C19TDO2SQOR
SCHEMBL6001386 0.77 TP53 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL6001924 0.77 KDM4E (0.45) CYP1A2CYP3A4CYP2C9CYP2C19TDO2
SCHEMBL6001681 0.76 ABCG2 (0.62) MEN1KMT2AMAPTLMNATP53
SCHEMBL13443764 0.75 NPC1 (0.59) SQORMEN1KMT2AKDM4EALDH1A1
SCHEMBL6001690 0.72 ABCG2 (0.59) MEN1KMT2AKDM4EALDH1A1MAPT

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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG TRPA1 2652/4885CYP1A2 1500/4885CYP3A4 2894/4885

“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.