SCHEMBL5953320

SCHEMBL5953320

COc1ccc(-c2cccc3c2CC(C)C3=O)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.67
CYP3A4 P08684 2/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2E1 P05181 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP4B1 P13584 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP3A5 P20815 1/20 0.51
CYP2A7 P20853 1/20 0.51
CYP3A7 P24462 1/20 0.51
CYP2F1 P24903 1/20 0.51
CYP2C18 P33260 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP2J2 P51589 1/20 0.51
CYP4F2 P78329 1/20 0.51
CYP4F8 P98187 1/20 0.51

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
SCHEMBL5952092 0.84 ACHE (0.82) ACHECYP19A1KDM4E
SCHEMBL5952595 0.82 ACHE (0.57) ACHECYP3A4CYP1A1CYP1A2CYP2E1
SCHEMBL15746282 0.81 ACHE (1.00) ACHECYP19A1KDM4E
SCHEMBL5951284 0.81 ACHE (0.61) ACHECYP3A4CYP1A1CYP1A2CYP2E1
SCHEMBL5952135 0.80 ACHE (0.65) ACHEADORA3PTPN1HPGD
SCHEMBL5952056 0.80 ACHE (0.57) ACHECYP3A4CYP1A1CYP1A2CYP2E1
SCHEMBL5953386 0.80 ACHE (0.68) ACHECYP19A1KDM4EALDH1A1HSD17B10
SCHEMBL5952130 0.79 ACHE (0.63) ACHECYP3A4CYP1A1CYP1A2CYP2E1
SCHEMBL5951716 0.77 ACHE (0.68) ACHEADORA3
SCHEMBL316629 0.73 ACHE (0.76) ACHECYP19A1KDM4EALDH1A1

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 839/4885CYP3A4 39/4885CYP1A1 7/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885CYP3A4 37/4885CYP1A1 3/4885

“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.