SCHEMBL2959540

SCHEMBL2959540

CCCCCCc1[c]c2c(c(CCCCCC)c1CCCCCC)-c1ccccc1C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.34
CYP2D6 P10635 2/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
GPR3 P46089 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
CYP1A1 P04798 1/20 0.32
CNR1 P21554 1/20 0.32
LIPG Q9Y5X9 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
SCHEMBL2958511 0.99 GCGR (0.35) GCGRCYP2D6PTPN1ALDH1A1CYP1A2
SCHEMBL2868374 0.95 SIGMAR1 (0.33) GCGRSIGMAR1
SCHEMBL2862475 0.86 ALDH1A1 (0.30) GCGRALDH1A1
SCHEMBL14574968 0.84 SIGMAR1 (0.34) GCGRCYP2D6PTPN1ALDH1A1CYP1A2
SCHEMBL2961892 0.82 LIPG (0.35) CYP2D6ALDH1A1CYP1A2CYP2C19DRD2
SCHEMBL2969656 0.81 CYSLTR2 (0.33) CYP2D6ALDH1A1CYP1A2CYP2C19DRD2
SCHEMBL2966931 0.80 SIGMAR1 (0.33) SIGMAR1
SCHEMBL2973190 0.76 GPR3 (0.37) CYP2D6PTPN1ALDH1A1CYP1A2CYP2C19
SCHEMBL2973058 0.76 GPR3 (0.37) CYP2D6PTPN1ALDH1A1CYP1A2CYP2C19
SCHEMBL2974853 0.76 GPR3 (0.37) CYP2D6PTPN1ALDH1A1CYP1A2CYP2C19

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
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
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

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 GCGR 4171/4885CYP2D6 4253/4885PTPN1 748/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 GCGR 4132/4885CYP2D6 2519/4885PTPN1 4091/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 GCGR 1239/4885CYP2D6 3526/4885PTPN1 1575/4885

“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.