SCHEMBL14349878

SCHEMBL14349878

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ ALPL P05186 1/20 0.49
▸ CLK1 P49759 1/20 0.49
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ NPC1 O15118 9/20 0.44
▸ RAB9A P51151 9/20 0.44
▸ ATM Q13315 1/20 0.44
▸ ACHE P22303 1/20 0.43
▸ SMN1; SMN2 Q16637 7/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ TP53 P04637 3/20 0.43
▸ NFKB1 P19838 1/20 0.43

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
SCHEMBL14349873 0.83 SMN1; SMN2 (0.51) HCAR2CYP2C9MEN1KMT2AKDM4E
SCHEMBL14349875 0.82 HCAR2 (0.81) HCAR2CYP2C9MEN1KMT2AKDM4E
SCHEMBL20647019 0.81 MEN1 (0.56) CYP2C9MEN1KMT2AKDM4EHSD17B10
SCHEMBL14349877 0.80 HCAR2 (0.70) HCAR2CYP2C9MEN1KMT2AKDM4E
SCHEMBL23889148 0.78 CCNA2 (0.57) CYP2C9MEN1KMT2AKDM4EHSD17B10
SCHEMBL4548382 0.78 CYP1A2 (0.62) HCAR2CYP2C9MEN1KMT2AKDM4E
SCHEMBL19128204 0.77 CCNA2 (0.54) CYP2C9MEN1KMT2AKDM4EHSD17B10
SCHEMBL14349861 0.76 CYP1A2 (0.54) CYP2C9MEN1KMT2AKDM4EHSD17B10
SCHEMBL19128564 0.74 KDM4E (0.59) CYP2C9MEN1KMT2AKDM4EHSD17B10
SCHEMBL12090340 0.72 DYRK1A (0.48) KDM4EHSD17B10CYP1A2ALDH1A1HPGD

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 HCAR2 20/4885CYP2C9 973/4885MEN1 3094/4885

“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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