SCHEMBL5951574

SCHEMBL5951574

C[SiH](C)[Zr](Cl)(Cl)(C1C(c2ccccc2)=Cc2c(-c3ncco3)cccc21)C1C(c2ccccc2)=Cc2c(-c3ncco3)cccc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.34
ADRA1A P35348 3/20 0.34
ADRA2A P08913 2/20 0.34
ADRA1D P25100 2/20 0.34
LTA4H P09960 1/20 0.32
PIN1 Q13526 1/20 0.31
BRD4 O60885 1/20 0.31
HDAC4 P56524 1/20 0.30
IMPDH2 P12268 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL5953388 0.84 ADRA1A (0.35) ADRA1AADRA2AADRA1DBRD4HCRTR1
SCHEMBL2508944 0.83
SCHEMBL5951986 0.83 ADRA1A (0.34) ADRA1AADRA2AADRA1DBRD4
SCHEMBL5951439 0.82 ADRA1A (0.33) ADRA1AADRA2AADRA1D
SCHEMBL5952619 0.82 ADRA1A (0.33) ADRA1AADRA2AADRA1D
SCHEMBL5951409 0.81 ADRA1A (0.31) ADRA1A
SCHEMBL6377739 0.81 KDM4E (0.30)
SCHEMBL5890047 0.80
SCHEMBL5952902 0.80 ADRA1A (0.32) ADRA1AADRA2AADRA1D
SCHEMBL8673752 0.80 P2RX7 (0.33) BRD4

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 HPGDS 971/4885ADRA1A 1011/4885ADRA2A 1060/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HPGDS 1147/4885ADRA1A 831/4885ADRA2A 1179/4885

“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.