SCHEMBL22686111

SCHEMBL22686111

CC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1[O]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRB2 P47870 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
LMNA P02545 2/20 0.44
FAAH O00519 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GABRB1 P18505 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
HTR2B P41595 1/20 0.44
GABRA2 P47869 1/20 0.44

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
SCHEMBL16050486 0.84 FABP3 (0.41) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL199413 0.80 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL3181087 0.77 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL21840820 0.77 MEN1 (0.48) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL17206281 0.77 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL2048068 0.77 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL3176934 0.76 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL9188741 0.74 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL31723279 0.74 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL14199926 0.74 MEN1 (0.50) CA1CA2LMNACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 GABRA1 2670/4885GABRG2 3915/4885GABRB3 2774/4885

“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.