SCHEMBL19798855

SCHEMBL19798855

CNC(=O)c1cc(C(C)(C)C)cc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ KDM2B Q8NHM5 3/20 0.43
▸ MAPK14 Q16539 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ MMP3 P08254 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ TACR3 P29371 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL19798857 0.81 KDM4E (0.49) PLK1ALDH1A1HPGDKDM2BKDM4E
SCHEMBL11441993 0.79 ALDH1A1 (0.41) PLK1ALDH1A1HPGDMAPK14KDM4E
SCHEMBL17919668 0.79 PLK1 (0.64) PLK1ALDH1A1HPGDHIF1AKDM2B
SCHEMBL8477167 0.79 PLK1 (0.64) PLK1ALDH1A1HPGDHIF1AKDM2B
SCHEMBL11689360 0.78 PLK1 (0.62) PLK1ALDH1A1HPGDHIF1AKDM2B
SCHEMBL15591342 0.76 PTGER4 (0.61) PLK1ALDH1A1HPGDHIF1AKDM2B
SCHEMBL19807305 0.75 PLK1 (0.58) PLK1ALDH1A1HPGDHIF1AKDM2B
SCHEMBL8191199 0.74 PLK1 (1.00) PLK1ALDH1A1HPGDRAB9ANPC1
SCHEMBL1150424 0.74 PLK1 (1.00) PLK1ALDH1A1HPGDRAB9ANPC1
Hydrochloric Acid SCHEMBL29473556 0.73 PLK1 (0.96) PLK1ALDH1A1HPGDRAB9ANPC1

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 PLK1 1149/4885ALDH1A1 656/4885HPGD 1780/4885
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B PLK1 1149/4885ALDH1A1 656/4885HPGD 1780/4885

“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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