SCHEMBL2958010

SCHEMBL2958010

CC1=Cc2c(Br)cccc2C1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.37
KDM1A O60341 2/20 0.33
GAA P10253 2/20 0.33
HDAC4 P56524 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A2 P23975 6/20 0.33
SLC6A4 P31645 6/20 0.33
SLC6A3 Q01959 6/20 0.33
RGS12 O14924 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
HTR2A P28223 1/20 0.32
MAPK1 P28482 1/20 0.32
ADRA1A P35348 1/20 0.32
PTGS2 P35354 1/20 0.32
HRH1 P35367 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
SCHEMBL2969447 0.88 MEN1 (0.36) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL2960712 0.85 PBRM1 (0.39) GAAHDAC4ALDH1A1SLC6A2SLC6A4
SCHEMBL2969448 0.83 ALDH1A1 (0.42) KDM1AGAAALDH1A1SLC6A2SLC6A4
SCHEMBL2963229 0.82 KDM4E (0.36) KDM1AGAASLC6A2SLC6A4SLC6A3
SCHEMBL2964782 0.79 KDM1A (0.40) KDM1AGAAALDH1A1SLC6A2SLC6A4
SCHEMBL2960666 0.78 CA2 (0.37) ALDH1A1SLC6A2SLC6A4LMNAHTR2A
SCHEMBL2964685 0.78 HTR2C (0.37) ALDH1A1HTR2AHTR2CHTR2BPBRM1
SCHEMBL2974663 0.76 KDM1A (0.33) GID4KDM1AGAAHDAC4ALDH1A1
SCHEMBL2964737 0.76 RAPGEF4 (0.31) ALDH1A1
SCHEMBL2962695 0.74 ALDH1A1 (0.33) KDM1AALDH1A1RCOR1PBRM1

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 GID4 2390/4885KDM1A 3280/4885GAA 4439/4885

“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.