Sugi Predict

Sugi Predict / Compounds / SCHEMBL5951798

SCHEMBL5951798

SCHEMBL5951798

COc1ccc(-c2cccc3c2C=C(C)C3[Zr](Cl)(Cl)(C2C(C)=Cc3c(-c4ccc(OC)c(OC)c4)cccc32)[SiH](C)C)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ CD274 Q9NZQ7 2/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ ADORA1 P30542 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
SCHEMBL6381568 0.89 ADORA3 (0.37) ADORA3ADORA2AKDM4EALDH1A1HSD17B10
SCHEMBL5951887 0.87 L3MBTL1 (0.36) L3MBTL1ADORA3ADORA2ANPC1RAB9A
SCHEMBL5951136 0.85 CYP1A1 (0.36) ADORA2AALDH1A1HSD17B10BRD4CD274
SCHEMBL5951380 0.85 ABL1 (0.35) L3MBTL1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL5951381 0.84 BRD4 (0.32) BRD4CREBBP
SCHEMBL5952933 0.84 ABL1 (0.38) TSHRBRD4CREBBPTP53
SCHEMBL5951320 0.83 RAB9A (0.33) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL139769 0.82 ENPP3 (0.32) ADORA1
SCHEMBL5952954 0.82 CA2 (0.32) PDE4D
SCHEMBL5836622 0.82 CYP1A2 (0.33) ALDH1A1

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 L3MBTL1 4883/4885ADORA3 3302/4885ADORA2A 2893/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 L3MBTL1 4881/4885ADORA3 3288/4885ADORA2A 2884/4885

“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.