SCHEMBL30995679

SCHEMBL30995679

COC(=O)C[C@@]1(N)CCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM1A O60341 3/20 0.46
MMP1 P03956 1/20 0.41
MAPT P10636 2/20 0.39
HDAC9 Q9UKV0 1/20 0.39
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL20137430 1.00 KMT2A (0.47) KMT2AMEN1KDM1AMMP1MAPT
SCHEMBL20137431 1.00 KMT2A (0.47) KMT2AMEN1KDM1AMMP1MAPT
SCHEMBL20137426 0.92 HDAC9 (0.40) KMT2AMEN1MMP1MAPTHDAC9
SCHEMBL20137427 0.92 HDAC9 (0.40) KMT2AMEN1MMP1MAPTHDAC9
SCHEMBL26692976 0.88 MEN1 (0.46) KMT2AMEN1KDM1AMAPT
SCHEMBL28901494 0.82 KDM1A (0.46) KMT2AMEN1KDM1AHDAC9
SCHEMBL20137423 0.82 KDM1A (0.46) KMT2AMEN1KDM1AHDAC9
SCHEMBL30995685 0.82 KDM4C (0.40) KMT2AMEN1KDM5AKDM4CKDM5B
SCHEMBL30995682 0.82 KDM4C (0.38) KDM5AKDM4CKDM5B
SCHEMBL28476884 0.82 KDM4C (0.38) KDM5AKDM4CKDM5B

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-12006323-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2024-06-11 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-12006323-B2 Ethynyl derivatives GRM4, GRM2, GRIA4 KMT2A 1371/4885MEN1 2270/4885KDM1A 3980/4885

“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.