SCHEMBL5953390

SCHEMBL5953390

COc1ccc(-c2cccc3c2C(=O)C(C(F)(F)F)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ENPP1 P22413 1/20 0.40
DRD2 P14416 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAOA P21397 1/20 0.38
PTGS2 P35354 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
PRF1 P14222 1/20 0.38
BACE1 P56817 1/20 0.37
ABL1 P00519 1/20 0.37
ABCB1 P08183 1/20 0.37
BCR P11274 1/20 0.37

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
SCHEMBL5952175 0.85 ENPP1 (0.36) ENPP1DRD2RAB9ANPC1MAPT
SCHEMBL5951400 0.84 HTR1A (0.40) HDAC4HDAC2HDAC8DRD2
SCHEMBL5952325 0.82 ACHE (0.41) HDAC4HDAC2HDAC8ENPP1RAB9A
SCHEMBL5951460 0.81 ACHE (0.52) HDAC4HDAC2HDAC8DRD2RAB9A
SCHEMBL5952345 0.76 HTR1A (0.46) DRD2MAPTMAOAEDNRBEDNRA
SCHEMBL5951768 0.74 ACHE (0.44)
SCHEMBL5952027 0.72 HTR7 (0.39) RAB9ANPC1MAPTHPGDSMN1; SMN2
SCHEMBL5952167 0.71 ACHE (0.53) RAB9ANPC1MAPTHPGDPTGS2
SCHEMBL5951624 0.70 ENPP3 (0.33) ENPP1MAOA
SCHEMBL5952939 0.70 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 HDAC4 4390/4885HDAC2 1582/4885HDAC8 3820/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HDAC4 4388/4885HDAC2 1633/4885HDAC8 3917/4885

“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.