SCHEMBL3132968

SCHEMBL3132968

CN1CCC(=C2c3ccccc3COc3ccc(CNC(=O)CCC(=O)O)cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HRH1 P35367 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE5A O76074 1/20 0.41
SETD7 Q8WTS6 1/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3132978 1.00 KCNH2 (0.43) KCNH2ALDH1A1HRH1MEN1KMT2A
SCHEMBL3138427 0.89 KCNH2 (0.46) KCNH2HRH1MEN1KMT2ASETD7
SCHEMBL3139075 0.89 HPGD (0.46) KCNH2ALDH1A1HRH1MEN1KMT2A
SCHEMBL3137250 0.88 SETD7 (0.45) KCNH2HRH1SETD7THRBPOLB
SCHEMBL3138558 0.87 ALDH1A1 (0.46) KCNH2ALDH1A1MEN1KMT2ASETD7
Hydrochloric Acid SCHEMBL3139244 0.85 KCNH2 (0.46) KCNH2HRH1SETD7LMNA
SCHEMBL3131124 0.84 HRH1 (0.57) KCNH2HRH1SETD7LMNA
SCHEMBL13870533 0.79 KCNH2 (0.47) KCNH2ALDH1A1HRH1LMNA
SCHEMBL3138213 0.78 MAPK1 (0.46) KCNH2MEN1KMT2ASETD7KDM4E
SCHEMBL13870558 0.77 KCNH2 (0.46) KCNH2HRH1

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-2067777-B1 OXEPIN DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
US-8222419-B2 Oxepin derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-07-17 US disclosed
US-20100004456-A1 Oxepin derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2067777-A1 OXEPIN DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-06-10 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-20100004456-A1 Oxepin derivative HRH4, HRH3, HCRTR2 KCNH2 1909/4885ALDH1A1 2881/4885HRH1 7/4885

“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.