SCHEMBL5952345

SCHEMBL5952345

O=C1c2c(cccc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
HTR7 P34969 2/20 0.46
PARP1 P09874 2/20 0.36
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
THRB P10828 1/20 0.33
MAOB P27338 2/20 0.33
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
AKR1C1 Q04828 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
TACR1 P25103 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
DRD2 P14416 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL5951165 0.84 HTR1A (0.49) HTR1AHTR7PARP1PARP10PARP11
SCHEMBL5951400 0.83 HTR1A (0.40) HTR1AHTR7DRD2
SCHEMBL5952069 0.81 HTR1A (0.48) HTR1AHTR7PARP1PARP10PARP11
SCHEMBL5952175 0.80 ENPP1 (0.36) HTR1AHTR7MAOBEDNRBEDNRA
SCHEMBL5953390 0.76 HDAC4 (0.43) EDNRBEDNRADRD2MAPTMAOA
SCHEMBL5952276 0.75 HTR1A (0.50) HTR1AHTR7PARP10PARP11MAOB
SCHEMBL16193472 0.74 HTR1A (0.47) HTR1AHTR7PARP1PARP10PARP11
SCHEMBL5952027 0.74 HTR7 (0.39) HTR1AHTR7MAPT
SCHEMBL5951624 0.72 ENPP3 (0.33) MAOBMAOA
SCHEMBL5952939 0.72 HTR2A (0.40)

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 HTR1A 2570/4885HTR7 1861/4885PARP1 2362/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HTR1A 2132/4885HTR7 2049/4885PARP1 2180/4885

“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.