SCHEMBL5951435

SCHEMBL5951435

COc1cc(OC)cc(-c2cccc3c2C(=O)C(C)C3)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.54
BRD4 O60885 1/20 0.48
CREBBP Q92793 1/20 0.48
ABL1 P00519 2/20 0.43
ABCB1 P08183 2/20 0.43
BCR P11274 2/20 0.43
HTR1A P08908 2/20 0.40
DRD1 P21728 2/20 0.40
LMNA P02545 1/20 0.40
DRD2 P14416 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP4B1 P13584 1/20 0.40
CYP2B6 P20813 1/20 0.40

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
SCHEMBL5952665 0.90 ACHE (0.54) ACHEBRD4HTR1ADRD1LMNA
SCHEMBL5951460 0.87 ACHE (0.52) ACHEDRD2
SCHEMBL5952167 0.84 ACHE (0.53) ACHELMNACYP1A1CYP1A2CYP2E1
SCHEMBL5952725 0.84 ACHE (0.58) ACHEBRD4DRD1LMNADRD2
SCHEMBL5952875 0.81 ACHE (0.51) ACHEBRD4CREBBPABCB1HTR1A
SCHEMBL5951255 0.81 ACHE (0.51) ACHEABCB1HTR1AHTR7
SCHEMBL5952595 0.80 ACHE (0.57) ACHELMNADRD2CYP1A1CYP1A2
SCHEMBL5952006 0.80 ACHE (0.50) ACHEABCB1HTR1AHTR7
SCHEMBL5952130 0.80 ACHE (0.63) ACHEBRD4CREBBPABL1ABCB1
SCHEMBL5951620 0.80 ACHE (0.54) ACHEBRD4CREBBPHTR1ADRD1

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 839/4885BRD4 3097/4885CREBBP 2331/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885BRD4 3045/4885CREBBP 2466/4885

“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.