SCHEMBL2802989

SCHEMBL2802989

CC(C)(C)C1=CC(=CCc2ccccc2)[C]=C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.35
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
PRMT1 Q99873 1/20 0.34
SLC6A2 P23975 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
LMNA P02545 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
SCHEMBL2838330 0.75 MAOB (0.39) MAOB
SCHEMBL1306041 0.64 MAOB (0.57) MAOBTAAR1
SCHEMBL2806134 0.63 MAOB (0.41) MAOB
SCHEMBL28706824 0.62 ATM (0.39) MAOBCYP2D6CYP1A2CYP3A4PRMT1
SCHEMBL27651443 0.61 MAOB (0.48) MAOBCYP2D6CYP1A2CYP3A4PRMT1
SCHEMBL315315 0.60 MAOB (0.52) MAOBCYP2D6CYP1A2CYP3A4PRMT1
SCHEMBL10871836 0.57 MAOB (0.43) MAOBCYP3A4LMNA
SCHEMBL6841872 0.57 MAOB (0.61) MAOBCYP2D6CYP1A2CYP3A4PRMT1
SCHEMBL28675576 0.57 MAOB (0.48) MAOBCYP2D6CYP1A2CYP3A4PRMT1
SCHEMBL28212290 0.57 TAAR1 (0.52) MAOBCYP2D6CYP1A2CYP3A4PRMT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785574-B2 Bridged metallocene compound, olefin polymerization catalyst containing the same, and ethylene polymer obtained with the catalyst MITSUI CHEMICALS, INC. (JP) 2014-07-22 US disclosed
US-20140114031-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST CONTAINING THE SAME, AND ETHYLENE POLYMER OBTAINED WITH THE CATALYST PRIME POLYMER CO., LTD. (JP) 2014-04-24 US disclosed
EP-2218725-B1 BRIDGED METALLOCENE OLEFIN POLYMERIZATION CATALYST AND ETHYLENE POLYMER OBTAINED BY USING THE CATALYST MITSUI CHEMICALS INC (JP) 2013-10-23 EP disclosed
US-20100292421-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST CONTAINING THE SAME, AND ETHYLENE POLYMER OBTAINED WITH THE CATALYST MITSUI CHEMICALS, INC. 2010-11-18 US disclosed
EP-2218725-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST USING THE COMPOUND AND ETHYLENE POLYMER OBTAINED BY USING THE CATALYST Mitsui Chemicals, Inc. (JP) 2010-08-18 EP 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-20100292421-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST CONTAINING THE SAME, AND ETHYLENE POLYMER OBTAINED WITH THE CATALYST CAD, ENDOD1, CCT7 MAOB 2686/4885CYP2D6 3314/4885CYP1A2 2033/4885

“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.