SCHEMBL4269308

SCHEMBL4269308

Cc1cc(C)c(C2=Cc3ccccc3C2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.46
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
CYP19A1 P11511 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
SCHEMBL29897853 0.80 CYP11B1 (0.51) PTGS2CYP11B1CYP11B2IP6K1IP6K3
SCHEMBL6280771 0.80 CYP11B1 (0.51) PTGS2CYP11B1CYP11B2IP6K1IP6K3
SCHEMBL2972467 0.78 RAPGEF4 (0.34) CYP11B1CYP11B2MEN1KMT2AALDH1A1
SCHEMBL2965705 0.78 TRPA1 (0.36) CYP11B1CYP11B2MEN1KMT2AALDH1A1
SCHEMBL7205941 0.76 PTGS2 (0.57) PTGS2CYP11B1CYP11B2IP6K1IP6K3
SCHEMBL30664496 0.76 PTGS2 (0.57) PTGS2CYP11B1CYP11B2IP6K1IP6K3
SCHEMBL30487694 0.76 CYP11B1 (0.54) PTGS2CYP11B1CYP11B2IP6K1IP6K3
SCHEMBL6287169 0.76 CYP11B1 (0.54) PTGS2CYP11B1CYP11B2IP6K1IP6K3
SCHEMBL8080061 0.74 PTGS2 (0.62) PTGS2CYP11B1CYP11B2IP6K1IP6K3
SCHEMBL30666896 0.74 PTGS2 (0.62) PTGS2CYP11B1CYP11B2IP6K1IP6K3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107417723-A (2 (substituted-phenyl) indenyl) two (3,5 2 (trifluoromethyl)) phenylphosphine ligands and preparation method thereof 中国科学技术大学 2017-12-01 CN disclosed
US-7538168-B2 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-05-26 US disclosed
US-7446216-B2 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-11-04 US disclosed
EP-1971617-A1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2008-09-24 EP disclosed
EP-1833858-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION Exxonmobil Chemical Patents Inc. (US) 2007-09-19 EP disclosed
WO-2007070038-A1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-06-21 WO disclosed
US-20070135593-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20060183874-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-08-17 US disclosed
WO-2006065906-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 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 (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-20060183874-A1 Halogen substituted metallocene compounds for olefin polymerization B2M, CDYL, MLX PTGS2 3370/4885CYP11B1 2779/4885CYP11B2 2646/4885
US-20070135593-A1 Halogen substituted metallocene compounds for olefin polymerization ZKSCAN2, ZRANB2, ZC3H18 PTGS2 4077/4885CYP11B1 2436/4885CYP11B2 2223/4885

“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.