Sugi Predict

Sugi Predict / Compounds / SCHEMBL5952835

SCHEMBL5952835

SCHEMBL5952835

CC1=Cc2c(-c3ccc4ccccc4c3)cccc2C1[Zr](Cl)(Cl)C1C(C)=Cc2c(-c3ccc4ccccc4c3)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.37
▸ HDAC4 P56524 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ DHFR P00374 1/20 0.34
▸ MET P08581 1/20 0.33
▸ CTSD P07339 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ AKT1 P31749 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ JAK3 P52333 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
SCHEMBL3685084 0.91 CYP2A6 (0.34) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL7629064 0.88 GSTP1 (0.34) GSTP1HDAC4HDAC2HDAC8SLC6A2
Hydrochloric Acid SCHEMBL7629068 0.85 SLC6A2 (0.36) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL2525984 0.83 PDCD1 (0.33) ALDH1A1ESR2CYP2A6
Hydrochloric Acid SCHEMBL31386845 0.82 PDCD1 (0.33) ALDH1A1ESR2CYP2A6
SCHEMBL7943368 0.82 PDCD1 (0.33) ALDH1A1ESR2CYP2A6
SCHEMBL5952170 0.82 EDNRB (0.32) EDNRBEDNRA
Hydrochloric Acid SCHEMBL7601708 0.81 GSTP1 (0.39) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL6903693 0.81 — —
SCHEMBL2525155 0.81 BRD4 (0.31) —

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 GSTP1 1262/4885HDAC4 4390/4885HDAC2 1582/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 GSTP1 1323/4885HDAC4 4388/4885HDAC2 1633/4885

“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.