SCHEMBL16133545

SCHEMBL16133545

O=C1CC2(CC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CFTR P13569 1/20 0.38
GOPC Q9HD26 1/20 0.38
ALDH1A1 P00352 2/20 0.37
S100A4 P26447 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
GSK3B P49841 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CCR5 P51681 1/20 0.35
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CDC25B P30305 1/20 0.35
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34
ITGA4 P13612 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
SCHEMBL11544901 0.92 HRH3 (0.47) HRH3POLBMEN1KMT2ACFTR
SCHEMBL11545552 0.90 HRH3 (0.49) HRH3POLBMEN1KMT2ACFTR
SCHEMBL394558 0.87 HRH3 (0.41) HRH3POLBMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL2101720 0.85 HRH3 (0.41) HRH3POLBMEN1KMT2AALDH1A1
SCHEMBL25358288 0.84 HRH3 (0.48) HRH3POLBMEN1KMT2AALDH1A1
SCHEMBL13518434 0.84 HRH3 (0.48) HRH3POLBMEN1KMT2ACFTR
SCHEMBL13227675 0.84 HRH3 (0.48) HRH3POLBMEN1KMT2ACFTR
SCHEMBL3287322 0.84 HRH3 (0.54) HRH3POLBALDH1A1CCR5OPRM1
SCHEMBL2802804 0.81 HRH3 (0.55) HRH3ALDH1A1CCR5OPRM1SIGMAR1
SCHEMBL18192195 0.81 CYP2A6 (0.41) HRH3POLBKMT2AALDH1A1S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 US disclosed
US-20140296266-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-02 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 (3 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-20140296266-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD HRH3 2302/4885POLB 905/4885MEN1 2641/4885
US-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD HRH3 2302/4885POLB 905/4885MEN1 2641/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD HRH3 2302/4885POLB 905/4885MEN1 2641/4885

“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.