SCHEMBL5952403

SCHEMBL5952403

CC1Cc2cccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2C1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.43
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
CYP26A1 O43174 1/20 0.36
THRB P10828 1/20 0.36
CRHR1 P34998 1/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
METAP1 P53582 1/20 0.35
TDP2 O95551 1/20 0.35
STAT3 P40763 1/20 0.34
SRD5A1 P18405 1/20 0.34
CTSD P07339 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL5952276 0.82 HTR1A (0.50) ACHEHTR1AHTR7
SCHEMBL5951501 0.82 ACHE (0.49) ACHEEDNRBEDNRACYP26A1CRHR1
SCHEMBL5951594 0.82 ACHE (0.47) ACHEHTR1AHTR7
SCHEMBL5951165 0.81 HTR1A (0.49) ACHEHTR1AHTR7
SCHEMBL29620987 0.75 ACHE (0.51) ACHECYP26A1TDP2HTR2AHTR2C
SCHEMBL5951713 0.74 ACHE (0.54) ACHEHTR1AHTR7STAT3CTSD
SCHEMBL5952340 0.73 ACHE (0.50) ACHESTAT3
SCHEMBL21132327 0.72 ACHE (0.63) ACHETDP2HTR2AHTR2CHTR2B
SCHEMBL5689519 0.72 ACHE (0.49) ACHEHTR1AHTR7STAT3HTR2A
SCHEMBL5951788 0.72 ACHE (0.53) ACHEHTR1AMETAP1STAT3

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 839/4885EDNRB 1913/4885EDNRA 2350/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885EDNRB 2088/4885EDNRA 2351/4885

“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.