SCHEMBL2813638

SCHEMBL2813638

CCCCC(/C=C/c1ccccc1)(CCCC)CCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
HDAC3 O15379 2/20 0.44
EGFR P00533 2/20 0.44
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
RELA Q04206 1/20 0.39
GLA P06280 1/20 0.38
MAOB P27338 1/20 0.38
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37
TUBA3E Q6PEY2 2/20 0.37

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
SCHEMBL11196372 0.84 RELA (0.45) LMNARELAMAOBMAPTSMN1; SMN2
SCHEMBL7101868 0.80 CYP2C19 (0.45) CYP2C19HDAC3EGFRNPC1L3MBTL1
SCHEMBL7101867 0.80 CYP2C19 (0.45) CYP2C19HDAC3EGFRNPC1L3MBTL1
SCHEMBL2785211 0.78 EGFR (0.45) CYP2C19HDAC3EGFRNPC1L3MBTL1
(Z)-1,2-Diphenylethene SCHEMBL28882092 0.77 RELA (0.54) HDAC3EGFRLMNATDP1RELA
SCHEMBL2787746 0.77 EGFR (0.48) CYP2C19HDAC3EGFRNPC1L3MBTL1
SCHEMBL6858892 0.77 EGFR (0.48) CYP2C19HDAC3EGFRNPC1L3MBTL1
SCHEMBL10998351 0.76 CYP2C19 (0.41) CYP2C19HDAC3EGFRNPC1L3MBTL1
SCHEMBL23406262 0.75 EGFR (0.50) CYP2C19HDAC3EGFRNPC1L3MBTL1
SCHEMBL28096624 0.75 EGFR (0.47) CYP2C19HDAC3EGFRNPC1L3MBTL1

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
EP-2192108-B1 Novel dihydronaphthalene compound and use thereof UNIV TOKYO SCI EDUC FOUND (JP) 2013-03-27 EP disclosed
US-8183235-B2 Dihydronaphthalene compound and use thereof TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2012-05-22 US disclosed
US-20100249400-A1 NOVEL DIHYDRONAPHTHALENE COMPOUND AND USE THEREOF TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2010-09-30 US disclosed
EP-2192108-A1 NOVEL DIHYDRONAPHTHALENE COMPOUND AND USE THEREOF Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2010-06-02 EP 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-20100249400-A1 NOVEL DIHYDRONAPHTHALENE COMPOUND AND USE THEREOF PSME1, NDUFB1, NDUFB10 CYP2C19 1757/4885HDAC3 702/4885EGFR 2000/4885

“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.