SCHEMBL16375439

SCHEMBL16375439

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
FFAR1 O14842 1/20 0.50
CPT2 P23786 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
TET2 Q6N021 1/20 0.37
ALDH1A1 P00352 1/20 0.35
BHMT Q93088 3/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.31
SLC15A2 Q16348 1/20 0.31
FFAR3 O14843 1/20 0.30
RET P07949 1/20 0.30

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
SCHEMBL48109 0.84 KDM4E (0.65) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL30854909 0.84 KDM4E (0.65) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL10887191 0.81 KDM4E (0.62) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL10887236 0.81 KDM4E (0.62) KDM4EFFAR1CPT2TDP1HMGCR
Hydrochloric Acid SCHEMBL5406891 0.81 KDM4E (0.70) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL8581488 0.81 KDM4E (0.62) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL6733907 0.81 KDM4E (0.62) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL11439787 0.81 KDM4E (0.62) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL9819340 0.81 KDM4E (0.62) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL4624372 0.81 KDM4E (0.62) KDM4EFFAR1CPT2TDP1HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428542-B2 Lupane triterpenoid derivatives and pharmaceutical use thereof JIANGXI QINGFENG PHARMACEUTICAL INC. (CN) 2016-08-30 US disclosed
US-20150011517-A1 LUPANE TRITERPENOID DERIVATIVES AND PHARMACEUTICAL USE THEREOF JIANGXI QINGFENG PHARMACEUTICAL INC. (CN) 2015-01-08 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-20150011517-A1 LUPANE TRITERPENOID DERIVATIVES AND PHARMACEUTICAL USE THEREOF LSS, FURIN, CYP51A1 KDM4E 4533/4885FFAR1 1429/4885CPT2 2805/4885

“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.