SCHEMBL5953396

SCHEMBL5953396

CC1Cc2cc(Oc3ccccc3)cc(Cl)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.47
PGR P06401 3/20 0.37
KYAT1 Q16773 1/20 0.37
KYAT3 Q6YP21 1/20 0.37
AADAT Q8N5Z0 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NSD2 O96028 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
TLR9 Q9NR96 1/20 0.36
GSTP1 P09211 1/20 0.34
SOS1 Q07889 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
RHEB Q15382 1/20 0.34

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
SCHEMBL5951407 0.81 ACHE (0.69) ACHE
SCHEMBL11602046 0.76 ACHE (0.45) ACHEMEN1MAPTKMT2ATDP1
SCHEMBL5951677 0.75 ACHE (0.47) ACHE
SCHEMBL5951847 0.71 ACHE (0.50) ACHEHSP90AA1GSTP1
SCHEMBL5951341 0.71 ACHE (0.52) ACHEAADAT
SCHEMBL5953125 0.68 ACHE (0.41) ACHEPOLBMAPT
SCHEMBL9644240 0.66 LTA4H (0.52) MEN1KMT2AHSP90AA1RHEB
SCHEMBL5952328 0.65 ACHE (0.49) ACHE
SCHEMBL5951373 0.65 NPC1 (0.39) ACHE
SCHEMBL5951701 0.64 ACHE (0.50) ACHE

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 ACHE 839/4885PGR 1140/4885KYAT1 2062/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885PGR 1333/4885KYAT1 1678/4885

“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.