SCHEMBL5953023

SCHEMBL5953023

OCCCOB(O)c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
CYP1A2 P05177 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
SCHEMBL5166207 0.89 ALDH1A1 (0.35) CYP1A2
SCHEMBL5952005 0.77 KDM4E (0.44) TDP1CYP1A2
SCHEMBL9894281 0.76 GAA (0.33) L3MBTL1CYP1A2
SCHEMBL29044991 0.76 ALDH1A1 (0.32)
SCHEMBL1491911 0.74 PCSK9 (0.41) PTPN1TDP1CYP1A2
SCHEMBL16232296 0.71 NFE2L2 (0.36)
SCHEMBL16247936 0.71 ENPP2 (0.45) L3MBTL1TDP1
SCHEMBL27884715 0.70 NFE2L2 (0.34)
SCHEMBL3254833 0.68 L3MBTL1 (0.61) L3MBTL1TDP1CYP1A2
SCHEMBL6276958 0.68 CNR2 (0.37)

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 PTPN1 4659/4885L3MBTL1 4883/4885TDP1 3788/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 PTPN1 4561/4885L3MBTL1 4881/4885TDP1 3321/4885

“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.