SCHEMBL18575692

SCHEMBL18575692

CCc1nc2c(CC)c3nc(C)c(C)nc3c(C)c2nc1C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ POLB P06746 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
SCHEMBL3457245 0.71 MAPK1 (0.32) HTT
SCHEMBL10393962 0.71 MAPK1 (0.34) HTT
SCHEMBL812478 0.71 NQO2 (0.35) KDM4E
SCHEMBL19009443 0.69 GABRP (0.33) HTTKDM4EPOLB
SCHEMBL10391849 0.69 HTT (0.32) HTT
SCHEMBL25675417 0.66 TLR8 (0.31) KDM4E
SCHEMBL26922197 0.66 MAPK1 (0.32) HTT
SCHEMBL8020079 0.66 MAPK1 (0.34) HTTKDM4E
SCHEMBL19908382 0.65 L3MBTL1 (0.43) KDM4EPOLB
SCHEMBL14606523 0.64 HTT (0.31) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809594-B2 Non-fullerene electron acceptors for organic photovoltaic devices UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-11-07 — — US disclosed
US-20170057962-A1 NON-FULLERENE ELECTRON ACCEPTORS FOR ORGANIC PHOTOVOLTAIC DEVICES UNIVERSITY OF WASHINGTON (US) 2017-03-02 — — 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 (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-20170057962-A1 NON-FULLERENE ELECTRON ACCEPTORS FOR ORGANIC PHOTOVOLTAIC DEVICES VDAC1, SLC19A1, SLC46A1 HTT 117/4885KDM4E 2697/4885POLB 1942/4885

“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.

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