SCHEMBL5952849

SCHEMBL5952849

COC(=O)c1ccc(-c2cccc3c2C(=O)C(C)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
ACHE P22303 3/20 0.44
PTPRC P08575 1/20 0.43
PTPRF P10586 1/20 0.43
PTPN1 P18031 1/20 0.43
CDC25B P30305 1/20 0.43
SETD7 Q8WTS6 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
IDO1 P14902 1/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
SCN1A P35498 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
SCHEMBL5951850 0.88 CA12 (0.44) ACHEALDH1A1MAPK1CA12CA1
SCHEMBL5952548 0.85 ACHE (0.47) ACHEHPGDSMN1; SMN2MAPT
SCHEMBL5952393 0.85 ACHE (0.47) ACHEHPGD
SCHEMBL5952261 0.82 ACHE (0.44) ACHEHPGDALDH1A1MAPT
SCHEMBL5951397 0.82 ACHE (0.55) EGFRACHEPTPRCPTPRFPTPN1
SCHEMBL5951460 0.81 ACHE (0.52) ACHEHPGDSMN1; SMN2MAPT
SCHEMBL5951497 0.81 ACHE (0.51) ACHE
SCHEMBL5952024 0.81 ACHE (0.49) ACHEPTPRCHPGDALDH1A1SMN1; SMN2
SCHEMBL5952527 0.79 ACHE (0.57) ACHETSHR
SCHEMBL5951841 0.79 ACHE (0.53) 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 EGFR 2379/4885ACHE 839/4885PTPRC 4308/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 EGFR 2497/4885ACHE 820/4885PTPRC 4365/4885

“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.