SCHEMBL10110673

SCHEMBL10110673

CCCCCc1ccc(OCC(O)CO)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
AGTR1 P30556 1/20 0.48
LMNA P02545 1/20 0.48
CNR2 P34972 2/20 0.45
CYP2D6 P10635 1/20 0.43
ADRB2 P07550 5/20 0.42
ADRB1 P08588 4/20 0.42
SLC2A1 P11166 1/20 0.42
VDR P11473 2/20 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
SCHEMBL709198 0.87 CYP1A2 (0.52) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL9159670 0.85 CYP1A2 (0.56) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL6432354 0.82 ADRB2 (0.61) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL10417450 0.80 CYP1A2 (0.60) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL24782977 0.79 SLC2A1 (0.48) MEN1KMT2ALMNACNR2SLC2A1
SCHEMBL25776518 0.79 SLC2A1 (0.58) CYP1A2MEN1CYP2C19KMT2ALMNA
SCHEMBL15663208 0.77 KDM4E (0.43) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL9650074 0.76 CNR2 (0.55) MEN1KMT2ACNR2ADRB2ADRB1
SCHEMBL9652151 0.76 HTT (0.50) KDM4EMEN1KMT2ALMNACNR2
SCHEMBL28769919 0.75 SLC2A1 (0.57) CYP1A2MEN1CYP2C19KMT2ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8575176-B2 Heteroaromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-05-10 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 (2 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-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS HCN4, SCN2B, KCNH1 CYP1A2 416/4885KDM4E 3151/4885MEN1 2048/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B CYP1A2 745/4885KDM4E 2068/4885MEN1 2136/4885

“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.