SCHEMBL5952545

SCHEMBL5952545

O=C1c2ccccc2CC1c1cc(C(F)(F)F)cc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.38
CTSD P07339 2/20 0.37
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
THRB P10828 1/20 0.34
METAP1 P53582 4/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
PTPN1 P18031 1/20 0.33
IDO1 P14902 1/20 0.33
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32

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
SCHEMBL5951865 0.81 DRD2 (0.35) ACHECTSDDRD2HTR2AHTR2C
SCHEMBL5951749 0.77 ACHE (0.41) ACHEDRD2HTR2AHTR2CHTR2B
SCHEMBL5951963 0.77 ACHE (0.41) ACHEDRD2HTR2AHTR2CHTR2B
SCHEMBL5952892 0.75 ACHE (0.39) ACHEDRD2HTR2AHTR2CHTR2B
SCHEMBL5952032 0.74 THRB (0.39) ACHECTSDDRD2HTR2AHTR2C
SCHEMBL5951600 0.74 ACHE (0.38) ACHEDRD2HTR2AHTR2CHTR2B
SCHEMBL5951221 0.73 ACHE (0.42) ACHEMETAP1IDO1
SCHEMBL5952193 0.69 P2RY14 (0.34) ACHECTSDDRD2HTR2AHTR2C
SCHEMBL19748752 0.68 CYP19A1 (0.56) ACHEMETAP1
SCHEMBL30424198 0.66 ACHE (0.46) ACHEMETAP1

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 839/4885CTSD 4744/4885DRD2 1803/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885CTSD 4795/4885DRD2 1860/4885

“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.