SCHEMBL2958741

SCHEMBL2958741

Cc1ccccc1C1(C)C=Cc2ccc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HTR2C P28335 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
SCHEMBL2966104 0.88 NPSR1 (0.34) NPSR1ALDH1A1HTR2C
SCHEMBL2970861 0.81 MEN1 (0.38) PDK2NPSR1ALDH1A1
SCHEMBL2965973 0.78 ALDH1A1 (0.39) ALDH1A1HTR2C
SCHEMBL2964023 0.77 MAPK1 (0.43) NPSR1ALDH1A1HTR2C
SCHEMBL2960251 0.76 CYP2A6 (0.46) —
SCHEMBL17319211 0.74 PDK2 (0.32) PDK2
SCHEMBL2957341 0.73 ALDH1A1 (0.39) ALDH1A1HTR2C
SCHEMBL19017207 0.72 HTR2C (0.36) NPSR1HTR2C
SCHEMBL2968942 0.71 ALDH1A1 (0.41) ALDH1A1HTR2C
SCHEMBL2963877 0.69 MEN1 (0.38) NPSR1ALDH1A1

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 PDK2 4845/4885NPSR1 2419/4885ALDH1A1 4332/4885

“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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