SCHEMBL20101217

SCHEMBL20101217

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cnc4c(c3)c(C3CCCCC3)nn4C)sc2c1-c1ccc(Cl)cc1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.31
HCRTR2 O43614 3/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
PSD A5PKW4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 2/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
CYP3A4 P08684 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
SCHEMBL20030869 0.94 HCRTR1 (0.31) HCRTR1HCRTR2ALDH1A1KDM4EHPGD
SCHEMBL31114908 0.94 HCRTR1 (0.31) HCRTR1HCRTR2ALDH1A1KDM4EHPGD
SCHEMBL20101219 0.93 HRH3 (0.31) KDM4EHPGDHSD17B10
SCHEMBL31114847 0.91 CNR1 (0.40) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL20101222 0.90 PSD (0.32) HCRTR1HCRTR2ALDH1A1KDM4EHPGD
SCHEMBL31114861 0.90 MAP3K12 (0.31)
SCHEMBL20030766 0.90 HCRTR1 (0.30) HCRTR1HCRTR2
SCHEMBL20030688 0.90 MAP3K12 (0.31)
SCHEMBL20101157 0.89 PSD (0.30) ALDH1A1PSDLMNAMAPTTDP1
SCHEMBL20030768 0.88 KDM4E (0.32) KDM4EHPGDHSD17B10TP53

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-20180118734-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-03 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-20180118734-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 HCRTR1 3644/4885HCRTR2 4127/4885ALDH1A1 321/4885

“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.