SCHEMBL5953639

SCHEMBL5953639

CCCCB(CCCC)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.48
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
DNM1 Q05193 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 2/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL28439799 0.92 DNM1 (0.46) PCSK9TP53SMN1; SMN2SIGMAR1DNM1
SCHEMBL20201957 0.82 TP53 (0.46) PCSK9TP53SMN1; SMN2SIGMAR1
Lithium SCHEMBL9003795 0.78 KCNH2 (0.50) PCSK9SIGMAR1KCNH2
SCHEMBL23553935 0.77 TP53 (0.50) TP53
SCHEMBL555907 0.75 CALM1 (0.50) TP53SMN1; SMN2
SCHEMBL21123807 0.75 KCNH2 (0.43) PCSK9TP53SMN1; SMN2SIGMAR1DNM1
Butylbenzyl SCHEMBL27552527 0.70 ALDH1A1 (0.57) SMN1; SMN2SIGMAR1MAPK1KCNH2
Ethylbenzene SCHEMBL22634197 0.69 TP53 (0.78) TP53SMN1; SMN2SIGMAR1DNM1MEN1
Butylbenzyl SCHEMBL22716183 0.69 SIGMAR1 (0.59) TP53SIGMAR1MEN1KMT2AKCNH2
Ethylbenzene SCHEMBL14632730 0.69 TP53 (0.78) TP53SMN1; SMN2SIGMAR1DNM1MEN1

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 PCSK9 3742/4885TP53 1101/4885SMN1; SMN2 3518/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 PCSK9 3869/4885TP53 1187/4885SMN1; 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.