SCHEMBL17806563

SCHEMBL17806563

Cc1ncccc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
KIF11 P52732 2/20 0.49
AKT1 P31749 2/20 0.45
DGAT1 O75907 2/20 0.44
TNKS2 Q9H2K2 1/20 0.43
TRPV1 Q8NER1 4/20 0.43
AKT2 P31751 1/20 0.42
AKT3 Q9Y243 1/20 0.42
DHODH Q02127 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL4856400 0.84 MKNK1 (0.53) MKNK1MKNK2KIF11AKT1TRPV1
SCHEMBL30578380 0.81 KDM4E (0.65) KDM4EALDH1A1KMT2AKIF11TRPV1
SCHEMBL7662428 0.80 MKNK1 (0.61) MKNK1MKNK2KDM4EALDH1A1KMT2A
SCHEMBL624877 0.80 DGAT1 (0.58) MKNK1MKNK2KDM4EALDH1A1KMT2A
SCHEMBL2757253 0.79 MKNK1 (0.59) MKNK1MKNK2AKT1DHODHPTGS1
SCHEMBL15730173 0.79 MKNK1 (0.59) MKNK1MKNK2ALDH1A1DHODHPTGS1
SCHEMBL30563610 0.78 MKNK1 (0.58) MKNK1MKNK2ALDH1A1AKT1AKT2
SCHEMBL2084918 0.78 MKNK1 (0.58) MKNK1MKNK2ALDH1A1AKT1AKT2
SCHEMBL5182634 0.77 KDM4E (0.59) KDM4EALDH1A1KMT2AKIF11AKT1
SCHEMBL18118551 0.77 GLO1 (0.51) KDM4EALDH1A1KMT2AKIF11DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 MKNK1 2377/4885MKNK2 1286/4885KDM4E 465/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 MKNK1 2377/4885MKNK2 1286/4885KDM4E 465/4885

“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.