Sugi Predict

Sugi Predict / Compounds / SCHEMBL5951814

SCHEMBL5951814

SCHEMBL5951814

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.33
▸ HSP90AA1 P07900 3/20 0.33
▸ HSP90AB1 P08238 3/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ 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
▸ PTPN1 P18031 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD5 P21918 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ GAA P10253 2/20 0.30
▸ ENPP1 P22413 1/20 0.30

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
SCHEMBL2514532 0.84 ABL1 (0.33) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL5952444 0.84 ABL1 (0.33) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL5952420 0.80 ABL1 (0.33) BACE1ABL1ABCB1BCRHDAC4
SCHEMBL5951622 0.76 ABL1 (0.36) BACE1HSP90AA1HSP90AB1ABL1ABCB1
Hydrochloric Acid SCHEMBL5951616 0.75 ABL1 (0.37) BACE1ABL1ABCB1BCRHDAC4
Hydrochloric Acid SCHEMBL29612283 0.75 ABL1 (0.37) BACE1ABL1ABCB1BCRHDAC4
SCHEMBL5838254 0.75 ABL1 (0.37) ABL1ABCB1BCRHDAC4HDAC2
Hydrochloric Acid SCHEMBL6232193 0.74 ABL1 (0.35) BACE1ABL1ABCB1BCRHDAC4
Hydrochloric Acid SCHEMBL6892046 0.72 CYP3A4 (0.35) ABL1ABCB1BCRHDAC4HDAC2
Hydrochloric Acid SCHEMBL6885453 0.72 ABL1 (0.35) BACE1ABL1ABCB1BCRHDAC4

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 BACE1 1553/4885HSP90AA1 3199/4885HSP90AB1 2881/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 BACE1 1435/4885HSP90AA1 2902/4885HSP90AB1 2643/4885

“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.