SCHEMBL19397694

SCHEMBL19397694

CC(C)[C@H](C)[C@@H](c1ccccc1)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
AOC3 Q16853 7/20 0.45
HTR2A P28223 2/20 0.41
HRH1 P35367 2/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
KAT2B Q92831 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 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
SCHEMBL22725637 0.86 KDM4E (0.50) KDM4EALDH1A1AOC3HTR2AHRH1
SCHEMBL10125298 0.86 KDM4E (0.50) KDM4EALDH1A1AOC3HTR2AHRH1
Hydrochloric Acid SCHEMBL14764229 0.84 ALDH1A1 (0.48) KDM4EALDH1A1AOC3HTR2AHRH1
SCHEMBL19397759 0.83 KAT2B (0.47) KAT2B
SCHEMBL7586902 0.83 HTR2A (0.52) KDM4EALDH1A1AOC3HTR2AHRH1
SCHEMBL5173218 0.81 DPP4 (0.50) KDM4EALDH1A1AOC3SLC6A2SLC6A4
SCHEMBL19397703 0.80 KAT2B (0.51) KDM4EALDH1A1MAPTKAT2B
SCHEMBL19397693 0.80 KAT2B (0.51) KDM4EALDH1A1MAPTKAT2B
SCHEMBL6580098 0.78 KDM4E (0.53) KDM4EALDH1A1AOC3HTR2AHRH1
SCHEMBL19397756 0.78 ESR1 (0.48) KDM4EALDH1A1MAPTCYP2C9TDP1

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 2 patents. 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
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 KDM4E 1061/4885ALDH1A1 2604/4885AOC3 4484/4885

“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.