SCHEMBL23997992

SCHEMBL23997992

CC(C)OC(=O)c1ccc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA7 P43166 3/20 0.59
CA9 Q16790 3/20 0.59
CA14 Q9ULX7 3/20 0.59
PDCD1 Q15116 1/20 0.59
CD274 Q9NZQ7 1/20 0.59
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52

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
SCHEMBL707094 0.93 CA12 (0.67) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL8041186 0.91 CA12 (0.65) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL24012957 0.86 CES2 (0.52) NPC1RAB9AMEN1KMT2ACES2
SCHEMBL23998049 0.86 CES2 (0.52) NPC1RAB9AMEN1KMT2ACES2
SCHEMBL28290879 0.86 CA12 (0.59) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL570100 0.85 ADRB2 (0.52) NPC1RAB9AMEN1KMT2ACES2
SCHEMBL13229042 0.84 CA12 (0.57) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL6653048 0.84 CA12 (0.68) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL16687595 0.84 CA12 (0.57) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL12806511 0.83 CES2 (0.49) NPC1RAB9AMEN1KMT2ACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183164-A1 Synthesis of Vinyl Cyclobutyl Intermediates AMGEN INC. (US) 2023-06-15 US disclosed
US-20230183164-A1 Synthesis of Vinyl Cyclobutyl Intermediates AMGEN INC. (US) 2023-06-15 US disclosed
US-20230174496-A1 Synthesis of Vinylic Protected Alcohol Intermediates AMGEN INC. (US) 2023-06-08 US disclosed
US-20230174496-A1 Synthesis of Vinylic Protected Alcohol Intermediates AMGEN INC. (US) 2023-06-08 US disclosed
US-20230167130-A1 Ring Closing Synthesis of Macrocyclic MCL-1 Inhibitor Intermediates AMGEN INC. (US) 2023-06-01 US disclosed
US-20230167130-A1 Ring Closing Synthesis of Macrocyclic MCL-1 Inhibitor Intermediates AMGEN INC. (US) 2023-06-01 US disclosed
WO-2021225823-A1 SYNTHESIS OF VINYLIC PROTECTED ALCOHOL INTERMEDIATES AMGEN INC. (US) 2021-11-11 WO disclosed
CN-105873911-B Thiazolium compounds and its Pesticidal purposes 住友化学株式会社 2018-07-24 CN disclosed
CN-105873911-A Thiazole compounds and pest control applications thereof 住友化学株式会社 2016-08-17 CN 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 (3 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-20230174496-A1 Synthesis of Vinylic Protected Alcohol Intermediates MCL1, BCL2A1, BAK1 NPC1 988/4885RAB9A 3039/4885MEN1 43/4885
US-20230183164-A1 Synthesis of Vinyl Cyclobutyl Intermediates MCL1, BCL2A1, BAK1 NPC1 1467/4885RAB9A 4339/4885MEN1 33/4885
US-20230167130-A1 Ring Closing Synthesis of Macrocyclic MCL-1 Inhibitor Intermediates MCL1, BAK1, BCLAF1 NPC1 1131/4885RAB9A 3878/4885MEN1 164/4885

“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.