SCHEMBL5952360

SCHEMBL5952360

O=C1c2cccc(-c3ccccc3)c2CC1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
ANPEP P15144 2/20 0.38
IL1RN P18510 1/20 0.38
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
BRD4 O60885 2/20 0.37
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
METAP1 P53582 1/20 0.36
ACHE P22303 2/20 0.36
PRCP P42785 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
CREBBP Q92793 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
SCHEMBL5952144 0.86 ACHE (0.40) HTR1AHTR7METAP1ACHE
SCHEMBL5952325 0.83 ACHE (0.41) HTR1AHTR7ACHE
SCHEMBL5952069 0.82 HTR1A (0.48) PARP10PARP11HTR1AHTR7METAP1
SCHEMBL5952539 0.80 HTR7 (0.40) BRD4HTR1AHTR7METAP1ACHE
SCHEMBL5952927 0.79 METAP1 (0.37) METAP1ACHE
SCHEMBL5952887 0.79 PIM1 (0.41) PARP10PARP11METAP1ACHEABHD6
SCHEMBL5951400 0.78 HTR1A (0.40) ANPEPIL1RNERAP2ERAP1BRD4
SCHEMBL7180368 0.75 PARP10 (0.44) PARP10PARP11ANPEPIL1RNERAP2
SCHEMBL3066323 0.75 ACHE (0.64) PARP10PARP11ANPEPIL1RNERAP2
SCHEMBL11523523 0.74 ACHE (0.53) METAP1ACHE

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 PARP10 2016/4885PARP11 2757/4885ANPEP 3546/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 PARP10 2151/4885PARP11 2439/4885ANPEP 3741/4885

“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.