SCHEMBL2972117

SCHEMBL2972117

CC1C=Cc2c(Br)ccc(-c3cccc4ccccc34)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 4/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
DNMT1 P26358 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
ALOX15 P16050 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL2970659 0.89 CYP1A2 (0.34) CYP1A2CA12CA1CA2CA9
SCHEMBL2967197 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL8338786 0.79 ALDH1A1 (0.39) ALDH1A1CYP2A6NPC1MAPTRAB9A
SCHEMBL2972559 0.78 ALDH1A1 (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL2959987 0.78 MAOA (0.30)
SCHEMBL2973456 0.78 MAPT (0.33) CA12CA1CA2CA9ALDH1A1
SCHEMBL2972889 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2963873 0.77 DHFR (0.35) CYP1A2CA12CA1CA2CA9
SCHEMBL2971829 0.77 DHFR (0.35) CYP1A2CA12CA1CA2CA9
SCHEMBL2971579 0.74 KDM4E (0.35) CA12CA1CA2CA9ALDH1A1

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 2 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-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 CYP1A2 2409/4885CA12 3150/4885CA1 3194/4885

“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.