SCHEMBL18652186

SCHEMBL18652186

CC(C)(C)CNC(=O)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 5/20 0.55
ESRRB O95718 2/20 0.55
ADORA2A P29274 1/20 0.54
GFER P55789 2/20 0.53
MPO P05164 1/20 0.53
CYP3A4 P08684 1/20 0.53
KDM5A P29375 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
HIF1A Q16665 1/20 0.53
NAMPT P43490 1/20 0.50
PRSS1 P07477 1/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
CMA1 P23946 1/20 0.47
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL17865785 0.92 ADORA2A (0.59) ADORA2ANAMPTPRSS1CTSGCTRB1
SCHEMBL24871621 0.89 ESRRG (0.55) ESRRGESRRBADORA2AGFERMPO
SCHEMBL13483866 0.85 RAB9A (0.60) ESRRGESRRBRAB9AMAPTNPC1
SCHEMBL6024562 0.85 NPC1 (0.58) ADORA2ANAMPTRAB9AMAPTNPC1
SCHEMBL22040703 0.85 HDAC1 (0.60) ADORA2ANAMPTHDAC3HDAC1HDAC2
SCHEMBL10224288 0.82 PRSS1 (0.67) ESRRGADORA2ANAMPTPRSS1CTSG
SCHEMBL5687748 0.81 MLYCD (0.69) ESRRGESRRBGFERMPOCYP3A4
SCHEMBL12388322 0.81 PLK1 (0.59) ADORA2ACYP3A4NAMPTSMN1; SMN2HDAC3
SCHEMBL23116863 0.81 GFER (0.53) ESRRGESRRBGFERMPOCYP3A4
SCHEMBL22618725 0.80 RAB9A (0.56) ADORA2AHIF1ANAMPTPRSS1CTSG

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-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-03-23 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-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS MCM2, YTHDF2, MCM6 ESRRG 4375/4885ESRRB 4857/4885ADORA2A 3228/4885

“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.