SCHEMBL26019652

SCHEMBL26019652

Cc1cc(C2CC2)ccc1C(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.39
ACMSD Q8TDX5 2/20 0.38
CYP2C9 P11712 2/20 0.38
NOTUM Q6P988 1/20 0.37
ADORA2A P29274 1/20 0.36
RXRB P28702 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
QDPR P09417 1/20 0.36
DHODH Q02127 2/20 0.35
ACLY P53396 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMURF2 Q9HAU4 1/20 0.34
SMURF1 Q9HCE7 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
ESR2 Q92731 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL1725124 0.83 ACMSD (0.40) SSTR4ACMSDCYP2C9NOTUMALDH1A1
SCHEMBL1725857 0.81 ACMSD (0.53) ACMSDNOTUMRXRBMAPTDHODH
SCHEMBL26020416 0.80 POLQ (0.46) ACMSDCYP2C9ADORA2ADHODHACLY
SCHEMBL1726032 0.77 KDM4E (0.46) SSTR4ALDH1A1LMNAMAPT
SCHEMBL4909993 0.76 SMN1; SMN2 (0.52) LMNAMAPTDHODHHDAC8HDAC6
SCHEMBL20503247 0.75 ACMSD (0.58) ACMSDNOTUMRXRBDHODHHDAC8
SCHEMBL13544502 0.75 ACMSD (0.63) ACMSDNOTUMDHODHHDAC8HDAC6
SCHEMBL11988898 0.74 NFE2L2 (0.45) RXRBHSD11B1
SCHEMBL17679285 0.73 PTGDR2 (0.40) ADORA2ALMNAHSD11B1
SCHEMBL20503312 0.73 ACMSD (0.64) ACMSDNOTUMDHODHHDAC8HDAC6

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-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-08-17 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-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TRPC5, TRPC1, GOT1 SSTR4 1088/4885ACMSD 2191/4885CYP2C9 123/4885

“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.