SCHEMBL19728985

SCHEMBL19728985

Cc1cc(-c2cccc(C(C)(C)C)c2)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
KMT2A Q03164 2/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
IKBKB O14920 1/20 0.39
OPRD1 P41143 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
NR2F2 P24468 1/20 0.38
CYP26A1 O43174 1/20 0.37
CYP26B1 Q9NR63 1/20 0.37
NOTUM Q6P988 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL17413465 0.85 IKBKB (0.55) KMT2AIKBKBMEN1NOTUMPOLB
SCHEMBL19737074 0.83 KIF11 (0.49) KIF11KMT2AMITFALDH1A1TP53
SCHEMBL20465066 0.79 NOTUM (0.51) ALDH1A1RAB9ANPC1NOTUMCYP2C9
SCHEMBL18120001 0.78 RAB9A (0.64) KIF11KMT2AMITFALDH1A1TP53
SCHEMBL19728980 0.77 ALDH1A1 (0.41) KIF11KMT2AMITFALDH1A1TP53
SCHEMBL1773863 0.76 RAB9A (0.61) ALDH1A1RAB9ANPC1POLB
SCHEMBL28479938 0.76 NOTUM (0.54) KMT2AALDH1A1RAB9AMEN1NPC1
SCHEMBL12948535 0.76 POLB (0.39) ALDH1A1RAB9ANPC1NOTUMPOLB
SCHEMBL27632755 0.76 IKBKB (0.51) KMT2AALDH1A1TP53IKBKBRAB9A
SCHEMBL17030756 0.75 NOTUM (0.57) KIF11RXRARXRBRAB9ANPC1

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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 KIF11 3653/4885KMT2A 2786/4885MITF 2338/4885

“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.