SCHEMBL23239223

SCHEMBL23239223

N#CC[C@H](O)c1cc2ccccc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.52
HIF1A Q16665 1/20 0.52
CYP2A6 P11509 2/20 0.47
KDM4E B2RXH2 2/20 0.40
FLT3 P36888 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MGLL Q99685 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 2/20 0.39
TYR P14679 1/20 0.39
DAO P14920 1/20 0.39
AKR1B1 P15121 1/20 0.39
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAOB P27338 2/20 0.37
AGXT P21549 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL26722620 1.00 CYP2D6 (0.52) CYP2D6HIF1ACYP2A6KDM4EFLT3
SCHEMBL18599925 0.81 CYP2A6 (0.49) CYP2D6HIF1ACYP2A6KDM4EFLT3
SCHEMBL12462085 0.80 CYP2A6 (0.47) CYP2D6HIF1ACYP2A6KDM4EFLT3
SCHEMBL12309888 0.80 CYP2A6 (0.47) CYP2D6HIF1ACYP2A6KDM4EFLT3
SCHEMBL24681203 0.80 ALOX5 (0.47) KDM4EHSD17B10CYP19A1ALDH1A1MAOB
SCHEMBL24689171 0.80 CA12 (0.36) CYP2D6HIF1AALDH1A1MAOBCA12
SCHEMBL18638445 0.79 CYP2A6 (0.46) CYP2D6HIF1ACYP2A6KDM4ELOXL2
SCHEMBL12304966 0.78 CYP2A6 (0.45) CYP2D6HIF1ACYP2A6KDM4EFLT3
SCHEMBL24173635 0.77 CYP2D6 (0.60) CYP2D6HIF1AKDM4EFLT3LOXL2
SCHEMBL6622018 0.77 CYP2D6 (0.56) CYP2D6HIF1ACYP2A6KDM4EFLT3

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-11136336-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-05 US disclosed
WO-2021074196-A1 THIENOPYRIMIDONES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-22 WO disclosed
US-20210107918-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 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 (2 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-20210107918-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 CYP2D6 2646/4885HIF1A 3263/4885CYP2A6 1778/4885
US-11136336-B2 Thienopyrimidones TRPA1, TRPV1, TRPV2 CYP2D6 2213/4885HIF1A 2512/4885CYP2A6 1521/4885

“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.