SCHEMBL5951865

SCHEMBL5951865

CCCCc1ccc2c(C3Cc4ccccc4C3=O)cc(C(F)(F)F)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PTGES O14684 3/20 0.33
EIF4A1 P60842 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CTSD P07339 2/20 0.32
ACHE P22303 3/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL5952545 0.81 ACHE (0.38) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5952193 0.80 P2RY14 (0.34) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5951510 0.75 ACHE (0.38) DRD2HTR2AHTR2CSIGMAR1SLC6A2
SCHEMBL5952892 0.74 ACHE (0.39) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5951963 0.72 ACHE (0.41) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5953308 0.68 ACHE (0.39) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5951600 0.67 ACHE (0.38) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7658781 0.67 EIF4A1 (0.43) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5952032 0.65 THRB (0.39) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5951221 0.64 ACHE (0.42) ACHECYP1A2METAP1

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 DRD2 1803/4885HTR2A 2569/4885HTR2C 2534/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 DRD2 1860/4885HTR2A 2727/4885HTR2C 2626/4885

“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.