SCHEMBL4200264

SCHEMBL4200264

CC(C)(C)C(N)C(C)(C)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CPT2 P23786 2/20 0.38
FFAR1 O14842 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BHMT Q93088 3/20 0.37
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34

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
SCHEMBL26954329 0.79 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL1629955 0.78 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL28789030 0.78 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL26954330 0.78 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL27450478 0.78 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL4303264 0.76 ALDH1A1 (0.50) HMGCRCHRM1TBXA2RADRA1AKDM4E
Hydrochloric Acid SCHEMBL27654585 0.76 KDM4E (0.48) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL4303261 0.76 ALDH1A1 (0.50) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL1143379 0.76 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL27759274 0.74 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1AKDM4E

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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF GNRHR, PGR, MC1R HMGCR 3628/4885CHRM1 94/4885TBXA2R 487/4885

“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.