SCHEMBL2964624

SCHEMBL2964624

Cc1ccc(C2=Cc3ccccc3[CH]2)c(C)c1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PAX8 Q06710 1/20 0.32
POLB P06746 2/20 0.30
RECQL P46063 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL218425 0.85 TRPA1 (0.34) CYP1A2CYP2A6TSHRPOLBRECQL
SCHEMBL218457 0.78 NPC1 (0.38) TSHRNPSR1
SCHEMBL7943843 0.71 LMNA (0.30) TSHR
SCHEMBL2964621 0.71 LMNA (0.36) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL6650647 0.69 ACHE (0.38) CYP1A2CYP2A6TSHRTDP1
SCHEMBL23854312 0.68 POLB (0.55) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL31673873 0.68 POLB (0.55) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL2971341 0.68
SCHEMBL2959815 0.68 POLB (0.33) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL2959818 0.68 CYP1A2 (0.31) CYP1A2CYP2A6TSHRTDP2NSD2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-7214746-B2 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed
US-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US disclosed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US disclosed
EP-1421090-A2 METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM Exxonmobil Chemical Patents Inc. (US) 2004-05-26 EP disclosed
WO-2003002583-A2 METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-01-09 WO 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 (3 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-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization PYM1, ZNF207, POLL CYP1A2 3980/4885CYP2A6 3966/4885TSHR 3182/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 CYP1A2 2409/4885CYP2A6 2465/4885TSHR 551/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 CYP1A2 2280/4885CYP2A6 2558/4885TSHR 2600/4885

“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.