Sugi Predict

Sugi Predict / Compounds / SCHEMBL5951685

SCHEMBL5951685

SCHEMBL5951685

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ GSTP1 P09211 1/20 0.34
▸ MET P08581 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ DHFR P00374 1/20 0.32
▸ ESR2 Q92731 2/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ CHRNA1 P02708 1/20 0.31
▸ CHRNG P07510 1/20 0.31
▸ CHRNB1 P11230 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31

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
SCHEMBL141649 0.85 PDCD1 (0.33) CHRNB2CHRNA4
SCHEMBL2867529 0.85 SLC6A2 (0.32) HDAC4HDAC2HDAC8SLC6A2SLC6A4
SCHEMBL5953310 0.84 EDNRB (0.32) —
SCHEMBL138909 0.83 GSTP1 (0.34) HDAC4HDAC2HDAC8SLC6A2SLC6A4
SCHEMBL5951992 0.83 GSTP1 (0.34) HDAC4HDAC2HDAC8SLC6A2SLC6A4
SCHEMBL1241164 0.83 GSTP1 (0.34) HDAC4HDAC2HDAC8SLC6A2SLC6A4
SCHEMBL5836702 0.81 MTNR1A (0.33) SLC6A2SLC6A4SLC6A3DHFRCHRNA1
SCHEMBL7188601 0.81 GSTP1 (0.36) HDAC4HDAC2HDAC8SLC6A2SLC6A4
SCHEMBL27946701 0.81 ALDH1A1 (0.33) TSHRHIF1A
SCHEMBL2862782 0.81 CTRC (0.32) NPC1RAB9A

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 HDAC4 4390/4885HDAC2 1582/4885HDAC8 3820/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HDAC4 4388/4885HDAC2 1633/4885HDAC8 3917/4885

“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.