SCHEMBL21248596

SCHEMBL21248596

CC(C)(C)c1cccc(C(C)(C)C)c1-c1[c]c(-c2c(C(C)(C)C)cccc2C(C)(C)C)ccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KIF11 P52732 1/20 0.34
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL21248665 0.83 CA2 (0.35) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL10523675 0.79 CA2 (0.60) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28154136 0.79 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL14877302 0.70 GABRA1 (0.60) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL22686107 0.70 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL2280822 0.69 GABRA1 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL438553 0.69 CA2 (0.55) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL27965170 0.69 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL2050307 0.68 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL4411468 0.68 KIF11 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749674-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-12-16 EP claimed
US-20200369697-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-11-26 US claimed
WO-2019157376-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-08-15 WO claimed
EP-3749674-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-12-16 EP disclosed
US-20200369697-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-11-26 US disclosed
WO-2019157376-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-08-15 WO 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-20200369697-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MSRB3, MMAB, CYB5R3 CA2 1952/4885GABRA1 2670/4885GABRB2 2674/4885

“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.