SCHEMBL5952929

SCHEMBL5952929

CCCCB(O)OCCCO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PCSK9 Q8NBP7 1/20 0.35
ACHE P22303 6/20 0.34
USP2 O75604 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL10348835 0.89 MEN1 (0.45) ANPEPALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6359996 0.78 ANPEP (0.42) ANPEPALDH1A1MEN1KMT2ATHRB
SCHEMBL15641339 0.72 TSHR (0.41) ANPEPALDH1A1SMN1; SMN2MEN1KMT2A
Ethylene Glycol SCHEMBL28490960 0.71 MEN1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ATHRB
SCHEMBL5487541 0.71 ANPEP (0.55) ANPEPALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29245110 0.70 THRB (0.43) ALDH1A1MEN1KMT2ATHRBHTT
SCHEMBL28490958 0.70 MEN1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ATHRB
SCHEMBL4398400 0.69 TSHR (0.75) ALDH1A1SMN1; SMN2MEN1KMT2ATHRB
SCHEMBL170051 0.69
SCHEMBL17333189 0.69 CA12 (0.41) ANPEPSMN1; SMN2MEN1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ANPEP 3546/4885ALDH1A1 317/4885SMN1; SMN2 3518/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ANPEP 3741/4885ALDH1A1 198/4885SMN1; SMN2 3389/4885

“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.