SCHEMBL2964023

SCHEMBL2964023

Cc1cccc(C2(C)C=Cc3ccc(Br)cc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ CHRNA1 P02708 2/20 0.31
▸ CHRNG P07510 2/20 0.31
▸ CHRNB1 P11230 2/20 0.31
▸ CHRNB2 P17787 2/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ CHRNB4 P30926 2/20 0.31
▸ CHRNA3 P32297 2/20 0.31
▸ CHRNA4 P43681 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ CHRND Q07001 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 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
SCHEMBL2966199 0.88 MAPK1 (0.43) MAPK1ALDH1A1NPSR1LMNAHDAC4
SCHEMBL2965973 0.83 ALDH1A1 (0.39) MAPK1ALDH1A1MAPTHTR2C
SCHEMBL2960251 0.78 CYP2A6 (0.46) SLC6A2SLC6A3SLC6A4
SCHEMBL2976116 0.77 ALDH1A1 (0.36) MAPK1ALDH1A1NPSR1LMNAHDAC4
SCHEMBL2958741 0.77 PDK2 (0.33) ALDH1A1NPSR1HTR2C
SCHEMBL2970861 0.74 MEN1 (0.38) MAPK1ALDH1A1NPSR1LMNASLC6A2
SCHEMBL18723343 0.73 MAPK1 (0.47) MAPK1ALDH1A1NPSR1LMNAHDAC4
SCHEMBL15316155 0.71 MAPK1 (0.48) MAPK1ALDH1A1NPSR1LMNAHDAC4
SCHEMBL19017207 0.71 HTR2C (0.36) NPSR1HTR2C
SCHEMBL15424102 0.71 ALDH1A1 (0.44) MAPK1ALDH1A1NPSR1LMNAHDAC4

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 MAPK1 3118/4885ALDH1A1 4332/4885NPSR1 2419/4885

“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.

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