SCHEMBL13764516

SCHEMBL13764516

Cc1[nH]c2ccc(C(C)(C)C)cc2c1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.56
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GHSR Q92847 1/20 0.41
HTR1D P28221 5/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRA6 Q16445 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1B P28222 1/20 0.39
SIRT1 Q96EB6 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL13672545 0.83 KIF11 (0.58) KIF11MEN1KMT2AGHSRHTR1D
SCHEMBL19788888 0.80 TDP1 (0.55) MEN1KMT2AHTR1DSIRT1
SCHEMBL14214429 0.80 SMN1; SMN2 (0.49) KIF11MEN1KMT2AGABRA1GABRG2
SCHEMBL29535 0.80 KIF11 (0.81) KIF11MEN1KMT2AGHSRHTR1D
SCHEMBL29361452 0.80 KIF11 (0.81) KIF11MEN1KMT2AGHSRHTR1D
Ammonia Solution, Strong SCHEMBL25176966 0.78 KIF11 (0.78) KIF11MEN1KMT2AGHSRHTR1D
SCHEMBL13768726 0.77 KIF11 (0.44) KIF11HTR1DGABRA1HTR1AHTR1B
Methyl Alcohol SCHEMBL4018989 0.76 KIF11 (0.75) KIF11MEN1KMT2AGHSRHTR1D
SCHEMBL24126362 0.76 KIF11 (0.75) KIF11MEN1KMT2AGHSRHTR1D
SCHEMBL21579282 0.76 KIF11 (0.71) KIF11MEN1KMT2AGABRA1GABRG2

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-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-14 US disclosed
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 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-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KIF11 4624/4885MEN1 4687/4885KMT2A 4313/4885
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX CA9, CA12, CA1 KIF11 4680/4885MEN1 1624/4885KMT2A 1452/4885

“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.