SCHEMBL4098416

SCHEMBL4098416

COc1cc2c(cc1OC)C(CCc1ccc(C(C)(C)C)cc1)=NCC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.73
GLA P06280 1/20 0.73
RCE1 Q9Y256 1/20 0.73
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
HSD17B10 Q99714 1/20 0.61
RAD52 P43351 2/20 0.54
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
MAOA P21397 2/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 2/20 0.47
CES2 O00748 2/20 0.43
PKM P14618 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL990162 0.89 KDM4E (0.72) KDM4EGLARCE1CYP1A2CYP3A4
SCHEMBL8025519 0.86 KDM4E (0.79) KDM4EGLARCE1CYP1A2CYP3A4
SCHEMBL4278138 0.85 KDM4E (1.00) KDM4EGLARCE1CYP1A2CYP3A4
Acetic Acid SCHEMBL2478031 0.83 KDM4E (0.67) KDM4EGLARCE1CYP1A2CYP3A4
SCHEMBL990879 0.83 KDM4E (0.64) KDM4EGLARCE1CYP1A2CYP3A4
SCHEMBL3654274 0.81 KDM4E (0.61) KDM4EGLARCE1CYP1A2CYP3A4
SCHEMBL12200072 0.80 KDM4E (0.58) KDM4EGLARCE1CYP1A2CYP3A4
SCHEMBL27961569 0.80 KDM4E (0.72) KDM4EGLARCE1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL27961566 0.79 KDM4E (0.70) KDM4EGLARCE1CYP1A2CYP3A4
SCHEMBL2958134 0.78 KDM4E (0.63) KDM4EGLARCE1CYP1A2CYP3A4

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-20090221829-A1 3,4-Dihydroisoquinolinium Salt Derivatives HANWHA CHEMICAL CORPORATION (KR) 2009-09-03 US disclosed
EP-1896419-A1 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES HANWHA CHEMICAL CORPORATION (KR) 2008-03-12 EP disclosed
WO-2006129978-A1 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES HANWHA CHEMICAL CORPORATION (KR) 2006-12-07 WO 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-20090221829-A1 3,4-Dihydroisoquinolinium Salt Derivatives KCNQ3, KCNQ1, KCNQ2 KDM4E 1933/4885GLA 3270/4885RCE1 1528/4885

“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.