SCHEMBL4983448

SCHEMBL4983448

N#CCC(O)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
KDM4E B2RXH2 2/20 0.50
GMNN O75496 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX1 P07099 2/20 0.34
SHBG P04278 1/20 0.34
SLC6A3 Q01959 1/20 0.33
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL28010969 0.98 TP53 (0.48) TP53KDM4EGMNNLMNAMAPT
SCHEMBL28974097 0.98 TP53 (0.48) TP53KDM4EGMNNLMNAMAPT
SCHEMBL10447282 0.98 TP53 (0.48) TP53KDM4EGMNNLMNAMAPT
SCHEMBL27615745 0.93
SCHEMBL27326008 0.88
SCHEMBL27627523 0.86
SCHEMBL4683222 0.78 CPN1 (0.36) TP53SLC6A3DPP4
SCHEMBL15195460 0.77 TP53 (0.52) TP53KDM4EGMNNLMNAMAPT
SCHEMBL9580015 0.77 TP53 (0.52) TP53KDM4EGMNNLMNAMAPT
SCHEMBL4683701 0.77 CPN1 (0.42) TP53KDM4ELMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3835302-A1 DIISOCYANATE COMPOUND HAVING ANHYDROSUGAR ALCOHOL CORE AND PREPARATION METHOD THEREFOR Samyang Corporation (KR) 2021-06-16 EP disclosed
WO-2020032611-A1 DIISOCYANATE COMPOUND HAVING ANHYDROSUGAR ALCOHOL CORE AND PREPARATION METHOD THEREFOR 주식회사 삼양사 2020-02-13 WO disclosed
US-7355061-B2 Method of manufacturing cyano compounds TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-04-08 US disclosed
US-20050004388-A1 Method of manufacturing cyano compounds TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-01-06 US disclosed
US-4247689-A Preparation of isocyanate derivatives of 1,3[oxazoles, oxazines, diazoles and diazines] BAYER AKTIENGESELLSCHAFT (DE) 1981-01-27 US disclosed
US-4242489-A Process for preparing polyurethanes BAYER AKTIENGESELLSCHAFT (DE) 1980-12-30 US disclosed
US-4173567-A Isocyanate derivatives of 1,3[oxazoles, oxazines, diazoles and diazines] BAYER AKTIENGESELLSCHAFT (DE) 1979-11-06 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-20050004388-A1 Method of manufacturing cyano compounds HBB, IDH1, NOX3 TP53 3495/4885KDM4E 3063/4885GMNN 680/4885

“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.