SCHEMBL5951622

SCHEMBL5951622

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
PTPN1 P18031 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 0.33
EDNRA P25101 1/20 0.33
MAPT P10636 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
QPCT Q16769 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 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
SCHEMBL2522715 0.82 BRD4 (0.31)
SCHEMBL2520449 0.80
Hydrochloric Acid SCHEMBL29612283 0.79 ABL1 (0.37) ABL1ABCB1BCRPTPN1HDAC4
Hydrochloric Acid SCHEMBL5951616 0.79 ABL1 (0.37) ABL1ABCB1BCRPTPN1HDAC4
SCHEMBL5838254 0.79 ABL1 (0.37) ABL1ABCB1BCRPTPN1HDAC4
SCHEMBL4758198 0.78
SCHEMBL2514532 0.76 ABL1 (0.33) ABL1ABCB1BCRPTPN1HDAC4
SCHEMBL5951814 0.76 BACE1 (0.33) ABL1ABCB1BCRPTPN1HDAC4
SCHEMBL5952444 0.76 ABL1 (0.33) ABL1ABCB1BCRPTPN1HDAC4
SCHEMBL7142701 0.76 ABL1 (0.30) ABL1ABCB1BCRPTPN1KMT2A

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 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.