SCHEMBL5952971

SCHEMBL5952971

C=Cc1ccc2c(c1-c1ccco1)CC(CC)C2=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
HSP90AB1 P08238 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
TGFBR1 P36897 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL5953490 0.77 HTR1A (0.44) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL5951216 0.71 ALDH1A1 (0.33) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL5951505 0.68 HTR1A (0.42) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL7627859 0.62 ACHE (0.62)
SCHEMBL19165610 0.62 ALDH1A1 (0.36) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL5727032 0.61 METAP1 (0.34) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL9317264 0.61 METAP1 (0.46)
SCHEMBL5952774 0.61 METAP1 (0.43) MAPT
SCHEMBL1582991 0.61 METAP1 (0.43)
SCHEMBL1583277 0.60 METAP1 (0.42)

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 ALDH1A1 317/4885L3MBTL1 4883/4885MEN1 718/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ALDH1A1 198/4885L3MBTL1 4881/4885MEN1 614/4885

“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.