SCHEMBL14125166

SCHEMBL14125166

CCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(Br)ccc4-5)c4nsnc34)cc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.32
▸ NFKB1 P19838 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ NFKB2 Q00653 2/20 0.32
▸ RELA Q04206 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL25444711 1.00 NPC1 (0.32) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL17347201 0.91 — —
SCHEMBL14125167 0.89 — —
SCHEMBL31148286 0.87 — —
SCHEMBL5354304 0.87 PDK2 (0.37) —
SCHEMBL25444635 0.87 PDK2 (0.37) —
SCHEMBL22402534 0.87 PDK2 (0.37) —
SCHEMBL25444633 0.87 PDK2 (0.37) —
SCHEMBL2000265 0.86 RAB9A (0.35) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL22749433 0.86 RAB9A (0.35) NPC1NFKB1RAB9ANFKB2RELA

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-8816334-B2 N-type materials and organic electronic devices AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-08-26 — — US disclosed
US-20120298976-A1 N-Type Materials And Organic Electronic Devices AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-11-29 — — 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 (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-20120298976-A1 N-Type Materials And Organic Electronic Devices NANS, DPAGT1, PNN NPC1 372/4885NFKB1 3569/4885RAB9A 3005/4885

“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