SCHEMBL14349873

SCHEMBL14349873

COc1ccc2c(c1)CCc1c(CCC(=O)O)nn(Cc3ccccc3)c1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HSD17B10 Q99714 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ACHE P22303 1/20 0.44
▸ MAPT P10636 5/20 0.43
▸ TP53 P04637 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALPL P05186 1/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ SIGMAR1 Q99720 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
SCHEMBL14349870 0.85 HCAR2 (0.63) SMN1; SMN2LMNANPSR1HSD17B10ALDH1A1
SCHEMBL14349872 0.85 HCAR2 (0.56) SMN1; SMN2LMNANPSR1HSD17B10ALDH1A1
SCHEMBL14349878 0.83 HCAR2 (0.52) SMN1; SMN2HSD17B10ALDH1A1KMT2AACHE
SCHEMBL7913431 0.75 SMN1; SMN2 (0.47) SMN1; SMN2LMNANPSR1HSD17B10ALDH1A1
SCHEMBL4548382 0.73 CYP1A2 (0.62) SMN1; SMN2LMNANPSR1HSD17B10ALDH1A1
SCHEMBL7911579 0.72 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPSR1HSD17B10ALDH1A1
SCHEMBL14349875 0.72 HCAR2 (0.81) HSD17B10KMT2AKDM4EMEN1ALPL
SCHEMBL7916986 0.71 ALDH1A1 (0.46) SMN1; SMN2LMNANPSR1HSD17B10ALDH1A1
SCHEMBL7903245 0.71 SMN1; SMN2 (0.44) SMN1; SMN2LMNANPSR1HSD17B10ALDH1A1
SCHEMBL14349877 0.70 HCAR2 (0.70) ALDH1A1KMT2ATP53KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 — — US disclosed
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 — — 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-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment LDLR, APOB, FFAR1 SMN1; SMN2 2600/4885LMNA 732/4885NPSR1 45/4885

“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.

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