SCHEMBL7979681

SCHEMBL7979681

Oc1c(CN2CCCCC2)ccc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.73
LMNA P02545 5/20 0.73
MAPT P10636 4/20 0.73
ALDH1A1 P00352 4/20 0.73
GAA P10253 3/20 0.73
KMT2A Q03164 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
CACNA1B Q00975 1/20 0.65
CRHBP P24387 2/20 0.63
CRHR2 Q13324 2/20 0.63
FAAH O00519 1/20 0.60
TP53 P04637 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 2/20 0.51
ALOX12 P18054 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
JAK2 O60674 1/20 0.51
BRD4 O60885 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51

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
SCHEMBL5307965 0.84 KDM4E (1.00) KDM4ELMNAMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL16825180 0.81 ACHE (0.64) KDM4ELMNAMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL9750244 0.80 TDP1 (0.52) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL31010166 0.80 ACHE (0.66) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL807336 0.80 ACHE (0.66) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL3921135 0.78 ACHE (0.68) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL13700903 0.77 CRHBP (1.00) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL30294879 0.77 CRHBP (1.00) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL9975980 0.77 FAAH (0.59) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL1787096 0.76 KDM4E (0.68) KDM4ELMNAMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996005799-A1 HAIR DYE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-02-29 WO claimed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
WO-2012087889-A2 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-28 WO disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
WO-2010003475-A2 NOVEL PYRROLIDONE DERIVATIVES FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2010-01-14 WO disclosed
EP-0825172-B1 Synthesis of 1-acetoxy-2-methylnaphthalene BRISTOL MYERS SQUIBB CO (US) 2000-04-26 EP disclosed
EP-0825172-A1 Synthesis of 1-acetoxy-2-methylnaphthalene Bristol-Myers Squibb Company (US) 1998-02-25 EP disclosed
US-5670698-A Synthesis of 1-acetoxy-2-methylnaphthalene BRISTOL-MYERS SQUIBB COMPANY (US) 1997-09-23 US disclosed
WO-1996005799-A1 HAIR DYE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-02-29 WO disclosed
US-5420362-A Synthesis of 2-methyl-1-naphthol CLAIROL, INC. (US) 1995-05-30 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B KDM4E 427/4885LMNA 614/4885MAPT 3677/4885

“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.