SCHEMBL20006519

SCHEMBL20006519

CCCC1(CCC)c2cc(N)ccc2-c2ccc(C(=O)/C(CC3CCCCC3)=N/OCC)cc21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.34
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL20096397 0.90 POLB (0.36) POLBKMT2AALDH1A1MEN1
SCHEMBL18123001 0.80 PDK2 (0.37) POLBKMT2AALDH1A1
SCHEMBL18122990 0.79 PDK2 (0.37) POLB
SCHEMBL24497049 0.79 POLB (0.36) POLBALDH1A1
SCHEMBL29372016 0.78 PDK2 (0.38) —
SCHEMBL18812929 0.78 PDK2 (0.38) —
SCHEMBL18812930 0.78 PDK2 (0.38) —
SCHEMBL24490466 0.78 PDK2 (0.36) POLB
SCHEMBL28908811 0.77 PDK2 (0.38) —
SCHEMBL18123008 0.77 ALDH1A1 (0.44) POLBKMT2AALDH1A1MEN1

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-10023540-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element TOKYO OHKA KOGYO CO., LTD. (JP) 2018-07-17 — — US disclosed
US-9981914-B2 — — 2018-05-29 — — US disclosed
US-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT TOKYO OHKA KOGYO CO., LTD. (JP) 2018-03-29 — — 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-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT SLC9A2, SLC9A1, NHERF1 POLB 2120/4885KMT2A 1420/4885ALDH1A1 3686/4885
US-10023540-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element SLC9A2, SLC9A1, NHERF1 POLB 2120/4885KMT2A 1420/4885ALDH1A1 3686/4885

“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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