SCHEMBL4237993

SCHEMBL4237993

CCCCCCN(CC)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.47
CNR2 P34972 2/20 0.44
CSNK1E P49674 1/20 0.43
NPC1 O15118 1/20 0.43
JAK2 O60674 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
FAAH O00519 2/20 0.42
LMNA P02545 1/20 0.41
EPHX2 P34913 1/20 0.41
CYP1A2 P05177 1/20 0.41
ICMT O60725 1/20 0.41
ALB P02768 1/20 0.41
CETP P11597 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
SCHEMBL28357247 0.94 CSNK1E (0.46) KCNH2CNR2CSNK1ENPC1JAK2
SCHEMBL28357249 0.94 CSNK1E (0.46) KCNH2CNR2CSNK1ENPC1JAK2
SCHEMBL15044785 0.94 CSNK1E (0.46) KCNH2CNR2CSNK1ENPC1JAK2
SCHEMBL16525596 0.94 CSNK1E (0.46) KCNH2CNR2CSNK1ENPC1JAK2
SCHEMBL25141906 0.89 ESR1 (0.44) CNR2LMNA
SCHEMBL1063983 0.85 CYP1A2 (0.52) KCNH2NPC1RAB9ALMNACYP1A2
SCHEMBL1063981 0.85 CYP1A2 (0.52) KCNH2NPC1RAB9ALMNACYP1A2
SCHEMBL28191366 0.84 TP53 (0.42) KCNH2CNR2CSNK1ELMNACYP1A2
SCHEMBL15044806 0.83 CYP1A2 (0.41) KCNH2CNR2NPC1JAK2RAB9A
SCHEMBL28896896 0.82 FAAH (0.43) KCNH2CNR2CSNK1ENPC1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030092-A1 THICKENING AGENT AJINOMOTO CO., INC. (JP) 2009-01-29 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-20090030092-A1 THICKENING AGENT CUTA, NAAA, ACOT7 KCNH2 1905/4885CNR2 565/4885CSNK1E 1360/4885

“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.