SCHEMBL21248610

SCHEMBL21248610

CC(C)(C)c1cc(-c2[c]c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)ccc2)cc(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 8/20 0.44
RXRA P19793 7/20 0.44
KIF11 P52732 1/20 0.41
RXRG P48443 3/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 1/20 0.36
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
POLB P06746 1/20 0.32
ACHE P22303 2/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL3822082 0.80 KIF11 (0.45) KIF11KDM4EALDH1A1
SCHEMBL29024385 0.78 RXRB (0.38) RXRBRXRAKIF11RXRGGABRA1
SCHEMBL21248665 0.75 CA2 (0.35) RXRBRXRAKIF11GABRA1GABRB2
SCHEMBL25911308 0.75 RXRB (0.63) RXRBRXRAKIF11RXRGGABRA1
SCHEMBL4648856 0.74 RXRA (0.41) RXRBRXRAKIF11RXRGGABRA1
SCHEMBL29373306 0.73 KIF11 (0.64) RXRBRXRAKIF11RXRGGABRA1
SCHEMBL4572745 0.72 GABRA1 (0.58) RXRBRXRAKIF11RXRGGABRA1
SCHEMBL21248644 0.72 RXRB (0.47) RXRBRXRAKIF11RXRGGABRA1
SCHEMBL29024382 0.71 RXRB (0.38) RXRBRXRAKIF11RXRGGABRA1
SCHEMBL4526927 0.71 RXRB (0.65) RXRBRXRAKIF11RXRGGABRA1

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 3 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 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 RXRB 1497/4885RXRA 2034/4885KIF11 3804/4885

“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.