SCHEMBL14964104

SCHEMBL14964104

CC(C)(C)OC(=O)n1cc(CC#N)c2cc(CO)ccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.44
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 1/20 0.38
EPHX1 P07099 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
PDE10A Q9Y233 1/20 0.36
AKR1C3 P42330 1/20 0.35
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADAM17 P78536 1/20 0.34
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL15776738 0.85 HTR6 (0.51) HTR6L3MBTL1NR1H2EPHX1AKR1C3
SCHEMBL15776173 0.85 HTR6 (0.51) HTR6L3MBTL1NR1H2NR1H3EPHX1
SCHEMBL29353520 0.85 HTR6 (0.51) HTR6L3MBTL1NR1H2EPHX1AKR1C3
SCHEMBL29354113 0.85 HTR6 (0.51) HTR6L3MBTL1NR1H2NR1H3EPHX1
SCHEMBL2724803 0.84 AKR1C3 (0.53) HTR6L3MBTL1PDE10AAKR1C3
SCHEMBL2999358 0.82 HTR6 (0.48) HTR6L3MBTL1NR1H2EPHX1GPR119
SCHEMBL273000 0.82 L3MBTL1 (0.63) HTR6L3MBTL1NR1H2NR1H3EPHX1
SCHEMBL17442763 0.80 HTR6 (0.46) HTR6L3MBTL1NR1H2NR1H3EPHX1
SCHEMBL15777186 0.78 L3MBTL1 (0.45) HTR6L3MBTL1NR1H2NR1H3EPHX1
SCHEMBL1241271 0.78 L3MBTL1 (0.45) HTR6L3MBTL1NR1H2NR1H3EPHX1

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-9212138-B2 Use of derivatives of indoles for the treatment of cancer COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-12-15 US disclosed
US-20140235654-A1 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-08-21 US disclosed
US-20130131084-A1 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-05-23 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-20140235654-A1 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT HTR6 26/4885L3MBTL1 3854/4885NR1H2 2486/4885
US-20130131084-A1 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT HTR6 26/4885L3MBTL1 3854/4885NR1H2 2486/4885

“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.