SCHEMBL17833756

SCHEMBL17833756

CCOC(=O)C1c2cc(CO)c(C)cc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 16/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR1H2 P55055 1/20 0.35
GPR119 Q8TDV5 1/20 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
SCHEMBL17833754 0.88 GHSR (0.42) GHSRNR1H2
SCHEMBL17391179 0.83 GHSR (0.46) GHSRMEN1KMT2ANR1H2
SCHEMBL1201049 0.83 SMN1; SMN2 (0.48) GHSRMEN1KMT2AKDM4EALDH1A1
SCHEMBL17833755 0.83 MEN1 (0.41) GHSRMEN1KMT2ANR1H2
SCHEMBL25895663 0.82 GHSR (0.46) GHSRNR1H2
SCHEMBL4481872 0.81 ESR2 (0.49) GHSRMEN1KMT2ANR1H2
SCHEMBL2081445 0.81 ESR2 (0.49) GHSR
SCHEMBL17391030 0.79 GHSR (0.54) GHSR
SCHEMBL17391103 0.79 GHSR (0.57) GHSRKMT2AKDM4E
SCHEMBL24031472 0.78 GHSR (0.53) GHSRKDM4EGPR119

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-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
US-9518022-B2 Anti-HIV compounds PROSETTA ANTIVIRAL INC. (US) 2016-12-13 US disclosed
US-20160168100-A1 ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 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-20160168100-A1 ANTI-HIV COMPOUNDS MAVS, SARS1, NFATC1 GHSR 4832/4885MEN1 2432/4885KMT2A 1269/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT GHSR 4858/4885MEN1 3715/4885KMT2A 780/4885

“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.