SCHEMBL5952529

SCHEMBL5952529

COc1ccc(-c2cccc3c2C=C(c2ccccc2)C3[Zr](Cl)(Cl)(C2C(c3ccccc3)=Cc3c(-c4ccc(OC)cc4)cccc32)[SiH](C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
BACE1 P56817 4/20 0.36
EDNRB P24530 2/20 0.35
EDNRA P25101 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ACACA Q13085 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 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
SCHEMBL2508944 0.91
SCHEMBL2514661 0.87 EDNRB (0.32) EDNRBEDNRA
SCHEMBL2511754 0.85 EDNRB (0.35) EDNRBEDNRAHTT
SCHEMBL5951380 0.85 ABL1 (0.35) ABL1ABCB1BCRBACE1EDNRB
SCHEMBL5953074 0.84 ADORA2A (0.33) KDM4EALDH1A1SMN1; SMN2HDAC4HDAC2
SCHEMBL2513713 0.84
SCHEMBL5953289 0.83 KIF11 (0.37) BACE1EDNRBEDNRA
SCHEMBL5952634 0.83 ABL1 (0.34) LMNAABL1ABCB1BCRBACE1
SCHEMBL2513849 0.82 KCNH2 (0.31)
SCHEMBL5951879 0.82 ENPP1 (0.41) ABL1ABCB1BCRBACE1EDNRB

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 LMNA 1082/4885MAPT 3693/4885ABL1 781/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 LMNA 1251/4885MAPT 3748/4885ABL1 839/4885

“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.