SCHEMBL19798857

SCHEMBL19798857

CC(C)(C)c1cc(C(N)=O)c2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ HTT P42858 1/20 0.45
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ IKBKB O14920 1/20 0.39
▸ KDM2B Q8NHM5 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ ATM Q13315 2/20 0.39
▸ TNIK Q9UKE5 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ NR4A3 Q92570 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
SCHEMBL11441993 0.82 ALDH1A1 (0.41) KDM4EALDH1A1KMT2AGPR84MEN1
SCHEMBL19798855 0.81 PLK1 (0.58) KDM4EALDH1A1GAAHTTKDM2B
SCHEMBL12316910 0.77 KDM4E (0.53) KDM4EALDH1A1GAAHTTNCOA1
SCHEMBL7518100 0.75 KDM4E (0.55) KDM4EALDH1A1GAAHTTNCOA1
SCHEMBL8797558 0.75 CDC25B (0.60) KDM4EALDH1A1GAAHTTNCOA1
SCHEMBL30350972 0.74 KDM4E (0.67) KDM4EALDH1A1GAAHTTNCOA1
SCHEMBL27668833 0.74 KDM4E (0.67) KDM4EALDH1A1GAAHTTNCOA1
SCHEMBL17919939 0.74 KDM4E (0.53) KDM4EALDH1A1GAAHTTNCOA1
SCHEMBL28799527 0.74 KDM4E (0.53) KDM4EALDH1A1GAAHTTNCOA1
SCHEMBL30016538 0.74 KDM4E (0.53) KDM4EALDH1A1GAAHTTNCOA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10280149-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-05-07 — — US disclosed
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 — — US disclosed
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 — — 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 (2 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-10280149-B2 Therapeutic compounds and uses thereof KDM1B, KDM6B, KDM2B KDM4E 19/4885ALDH1A1 656/4885GAA 400/4885
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B KDM4E 19/4885ALDH1A1 656/4885GAA 400/4885

“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.

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