SCHEMBL2964849

SCHEMBL2964849

FC(F)(F)c1ccccc1-c1cccc2c1[CH]c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.41
NOTUM Q6P988 2/20 0.39
PDK2 Q15119 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
ALOX15 P16050 2/20 0.37
CYP2C19 P33261 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37
AR P10275 1/20 0.37
TRPA1 O75762 2/20 0.36
SCN9A Q15858 2/20 0.36
CES1 P23141 1/20 0.36
PSMB8 P28062 1/20 0.36
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2970978 0.90 PDK2 (0.39) HSD11B1NOTUMPDK2ALDH1A1CYP3A4
SCHEMBL2975651 0.86 HSD11B1 (0.37) HSD11B1NOTUMPDK2ALDH1A1CYP3A4
SCHEMBL18242471 0.79 PDK2 (0.30) PDK2
SCHEMBL197671 0.78 HSD11B1 (0.56) HSD11B1NOTUMALDH1A1CYP3A4CYP2D6
SCHEMBL2963747 0.78 HSD11B1 (0.36) HSD11B1NOTUMALDH1A1CYP2C19HPGD
SCHEMBL6649115 0.77 HSD11B1 (0.38) HSD11B1NOTUMPDK2ALDH1A1CYP3A4
SCHEMBL18241988 0.77
Hydrochloric Acid SCHEMBL29010139 0.76 HSD11B1 (0.54) HSD11B1NOTUMALDH1A1CYP3A4CYP2D6
SCHEMBL8022901 0.76 HSD11B1 (0.54) HSD11B1NOTUMALDH1A1CYP3A4CYP2D6
SCHEMBL18242355 0.75

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 HSD11B1 4589/4885NOTUM 2536/4885PDK2 3855/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 HSD11B1 4377/4885NOTUM 1437/4885PDK2 4845/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 HSD11B1 3445/4885NOTUM 3026/4885PDK2 3806/4885

“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.