SCHEMBL19929697

SCHEMBL19929697

C#CCCCC#CC(O)C#C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.36
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL19929695 0.95 EPAS1 (0.40) EPAS1USP2CYP3A4SMN1; SMN2KDM4E
SCHEMBL19929712 0.93 EPAS1 (0.42) EPAS1USP2CYP3A4SMN1; SMN2KDM4E
SCHEMBL11355828 0.86 EPAS1 (0.32) EPAS1
SCHEMBL19929745 0.84 EPAS1 (0.36) EPAS1
SCHEMBL19934064 0.81 EPAS1 (0.34) EPAS1USP2CYP3A4SMN1; SMN2
SCHEMBL11360771 0.80 TSHR (0.37) EPAS1
SCHEMBL19934241 0.77 EPAS1 (0.37) EPAS1USP2CYP3A4SMN1; SMN2KDM4E
SCHEMBL19929739 0.77 EPAS1 (0.32) EPAS1KDM4EALDH1A1HPGD
SCHEMBL11352370 0.74
SCHEMBL11354075 0.73

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-20180065908-A1 CHAIN MULTIYNE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF XIAMEN UNIVERSITY (CN) 2018-03-08 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-20180065908-A1 CHAIN MULTIYNE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SQLE, COASY, MCCC2 EPAS1 4885/4885USP2 3096/4885CYP3A4 210/4885

“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.