SCHEMBL5836702

SCHEMBL5836702

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr](Cl)(Cl)(=C(C)C)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
GSK3B P49841 1/20 0.32
ADK P55263 1/20 0.32
KDM1A O60341 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX15 P16050 1/20 0.31
SLC6A4 P31645 3/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A3 Q01959 2/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2A6 P11509 1/20 0.30
DHFR P00374 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
SCHEMBL27946701 0.89 ALDH1A1 (0.33) ALDH1A1HPGDL3MBTL1
SCHEMBL139428 0.84 DHFR (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL2860271 0.83 EPHX1 (0.31) ALDH1A1KDM4EHPGD
SCHEMBL7724265 0.83 KDM1A (0.32) KDM1ACA12CA1CA2CA9
SCHEMBL141649 0.83 PDCD1 (0.33) CHRNB2CHRNA4
SCHEMBL5951278 0.82 CA12 (0.31) CA12CA1CA2CA9ALDH1A1
SCHEMBL5854312 0.82 PTPN1 (0.32) CA12CA1CA2CA9ALDH1A1
SCHEMBL137885 0.82 ENPP3 (0.32) CA12CA1CA2CA9ALDH1A1
SCHEMBL339002 0.82 KDM1A (0.31) KDM1ACA12CA1CA2CA9
SCHEMBL5951685 0.81 HDAC4 (0.35) SLC6A4SLC6A2SLC6A3CYP2D6DHFR

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-6984743-B1 Method for producing metallocenes BASELL POLYOLEFINE GMBH (DE) 2006-01-10 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-6900343-B1 Method for the purification of metallocenes BASELL POLYOLEFINE GMBH (DE) 2005-05-31 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 (1 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-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 MTNR1A 3483/4885MTNR1B 3075/4885GSK3B 2285/4885

“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.