SCHEMBL22686100

SCHEMBL22686100

Cc1cccc(C)c1-c1cccc(-c2c(C)cccc2C)c1[O]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.52
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CA7 P43166 2/20 0.47
HTR7 P34969 1/20 0.44
DPP4 P27487 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
DAO P14920 1/20 0.39
CD44 P16070 1/20 0.39
TSHR P16473 2/20 0.38
ACHE P22303 2/20 0.38
USP8 P40818 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
PDK2 Q15119 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL16050969 0.83 CRHR1 (0.39) MYCCA1CA2CA9CA7
SCHEMBL28899579 0.80 MYC (0.58) MYCCA1CA2CA9CA7
SCHEMBL1133067 0.78 MYC (0.56) MYCCA1CA2CA9CA7
SCHEMBL4161420 0.77 CA1 (0.48) MYCCA1CA2CA9CA7
SCHEMBL11741027 0.76 MYC (0.48) MYCCA1CA2CA9CA7
SCHEMBL3400462 0.74 MYC (0.47) MYCCA1CA2CA9CA7
SCHEMBL29634210 0.74 CA1 (0.52) MYCCA1CA2CA9CA7
SCHEMBL6036681 0.74 TDP2 (0.52) MYCCA1CA2CA9CA7
SCHEMBL4161497 0.74 CA1 (0.52) MYCCA1CA2CA9CA7
SCHEMBL17205860 0.74 ALDH1A1 (0.57) MYCCA1CA2CA9CA7

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 MYC 1613/4885CA1 2956/4885CA2 1952/4885

“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.