SCHEMBL19397756

SCHEMBL19397756

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.48
ESR2 Q92731 10/20 0.48
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
KAT2B Q92831 1/20 0.40
CYP2C9 P11712 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC6A2 P23975 2/20 0.39
OPRM1 P35372 2/20 0.39
SLC6A3 Q01959 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CHRM1 P11229 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
SCHEMBL17571720 0.87 ESR1 (0.52) ESR1ESR2PDCD1CD274KAT2B
SCHEMBL19397694 0.78 KDM4E (0.47) KAT2BCYP2C9TDP1SLC6A2MAPT
SCHEMBL19397714 0.77 TP53 (0.43) KAT2BMAPTDRD1ALDH1A1SMN1; SMN2
SCHEMBL19397702 0.76 SLC2A1 (0.47) KAT2BTDP1SLC6A2CYP1A2CYP2D6
SCHEMBL19402451 0.76 KAT2B (0.47) ESR1ESR2PDCD1CD274KAT2B
SCHEMBL19402428 0.76 ESR1 (0.50) ESR1ESR2PDCD1CD274KAT2B
SCHEMBL19397736 0.75 KAT2B (0.46) ESR1ESR2PDCD1CD274KAT2B
SCHEMBL19397688 0.75 KAT2B (0.44) KAT2BLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL19397755 0.73 KAT2B (0.46) KAT2BTDP1MAPTALDH1A1KDM4E
SCHEMBL15547247 0.73 ESR1 (0.46) ESR1ESR2PDCD1CD274KAT2B

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 ESR1 4803/4885ESR2 4519/4885PDCD1 4769/4885

“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.