SCHEMBL19397696

SCHEMBL19397696

CC(C)[C@@H](C)[C@H](c1ccc(OCC2CC2)cc1)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.50
GPR88 Q9GZN0 3/20 0.42
ACACB O00763 8/20 0.42
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ACACA Q13085 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL17571713 0.91 KAT2B (0.52) KAT2BGPR88ACACBPARP15PARP10
SCHEMBL19402481 0.84 KAT2B (0.49) KAT2BGPR88ACACBPARP15PARP10
SCHEMBL19402526 0.83 KAT2B (0.56) KAT2BGPR88ACACBPARP15PARP10
SCHEMBL19397749 0.82 KAT2B (0.55) KAT2BGPR88ACACBPARP15PARP10
SCHEMBL10014749 0.77 PARP15 (0.50) GPR88ACACBPARP15PARP10PARP2
SCHEMBL30932889 0.74 PARP15 (0.51) GPR88ACACBPARP15PARP10PARP2
SCHEMBL17246825 0.74 PARP15 (0.51) GPR88ACACBPARP15PARP10PARP2
SCHEMBL7601081 0.74 PARP15 (0.51) GPR88ACACBPARP15PARP10PARP2
SCHEMBL19876587 0.74 PARP15 (0.51) GPR88ACACBPARP15PARP10PARP2
SCHEMBL19397702 0.74 SLC2A1 (0.47) KAT2BTDP1

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-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 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-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC1 KAT2B 41/4885GPR88 1375/4885ACACB 854/4885

“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.