SCHEMBL5951380

SCHEMBL5951380

COc1ccc(-c2cccc3c2C=C(C)C3[Zr](Cl)(Cl)(C2C(C)=Cc3c(-c4ccc(OC)cc4)cccc32)[SiH](C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.35
ABCB1 P08183 1/20 0.35
BCR P11274 1/20 0.35
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
PTPN1 P18031 1/20 0.32
TGFBR1 P36897 1/20 0.32
MAPK14 Q16539 1/20 0.32
AVPR2 P30518 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
ENPP1 P22413 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 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
SCHEMBL5952933 0.89 ABL1 (0.38) ABL1ABCB1BCRCYP3A4CYP2C9
SCHEMBL5953068 0.88 GSTP1 (0.35)
SCHEMBL5951136 0.88 CYP1A1 (0.36) EDNRBEDNRACYP3A4CYP2C9ALDH1A1
SCHEMBL141357 0.87
SCHEMBL5951874 0.87 BRD4 (0.34) KMT2A
SCHEMBL140187 0.86
SCHEMBL139507 0.86 PTGS2 (0.31)
SCHEMBL136348 0.86 PDCD1 (0.30)
SCHEMBL5952634 0.86 ABL1 (0.34) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL5952016 0.85 HTR2C (0.32)

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 6 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-20030078340-A1 Impregnating a mechanically fluidized porous particulate support material with a catalyst and polymerizing monomer(s) to produce polymer; heating mixture antioxidants, ultraviolet radiation stabilizer, diluent and metal stearate; depositing BOREALIS TECHNOLOGY OY (FI) 2003-04-24 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 ABL1 781/4885ABCB1 1146/4885BCR 3263/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ABL1 839/4885ABCB1 1132/4885BCR 3303/4885

“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.