SCHEMBL18516815

SCHEMBL18516815

COC1O[C@@H]2C(OCc3ccccc3)[C@]2(OCc2ccccc2)[C@@]1(C)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 6/20 0.38
▸ GSTP1 P09211 2/20 0.34
▸ PSEN1 P49768 3/20 0.33
▸ PSEN2 P49810 3/20 0.33
▸ APH1B Q8WW43 3/20 0.33
▸ NCSTN Q92542 3/20 0.33
▸ APH1A Q96BI3 3/20 0.33
▸ PSENEN Q9NZ42 3/20 0.33
▸ MAPT P10636 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SSTR1 P30872 1/20 0.32
▸ SSTR2 P30874 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ SSTR3 P32745 1/20 0.32
▸ SSTR5 P35346 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ OPRL1 P41146 2/20 0.32

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
SCHEMBL18699921 0.84 GSTP1 (0.39) BCHEGSTP1IDO1
SCHEMBL23278062 0.83 IDO1 (0.37) BCHEGSTP1IDO1OPRM1OPRL1
SCHEMBL19088039 0.69 CTSV (0.40) BCHEGSTP1PSEN1PSEN2APH1B
SCHEMBL19020173 0.69 SSTR1 (0.39) BCHESSTR1SSTR2SSTR4SSTR3
SCHEMBL10082717 0.69 SSTR1 (0.39) BCHESSTR1SSTR2SSTR4SSTR3
SCHEMBL16756862 0.69 SSTR1 (0.39) BCHESSTR1SSTR2SSTR4SSTR3
SCHEMBL23394153 0.68 BCHE (0.37) BCHEGSTP1PSEN1PSEN2APH1B
SCHEMBL11046121 0.66 OPRM1 (0.38) GSTP1IDO1OPRM1OPRL1
SCHEMBL24609967 0.66 TACR2 (0.36) BCHEPSEN1PSEN2APH1BNCSTN
SCHEMBL259422 0.65 SSTR1 (0.38) BCHESSTR1SSTR2SSTR4SSTR3

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-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 — — US disclosed
EP-2719701-B1 Method for the preparation of thieno[3,4-d]pyrimidin-7-yl ribosides GILEAD SCIENCES INC (US) 2017-04-05 — — EP disclosed
US-20170042961-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC 2017-02-16 — — 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 (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-20170042961-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC BCHE 1138/4885GSTP1 189/4885PSEN1 4584/4885

“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.

Send feedback