SCHEMBL3735175

SCHEMBL3735175

CC(=O)c1c(C)c(C)cc(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.39
THRB P10828 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
HSD17B10 Q99714 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
CLK2 P49760 1/20 0.35
CSNK1G1 Q9HCP0 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CA5A P35218 1/20 0.35
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
LMNA P02545 1/20 0.34
PTBP1 P26599 1/20 0.34

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
SCHEMBL7953582 0.84 CYP3A4 (0.44) CYP3A4HPGDMEN1KMT2ACYP1A2
SCHEMBL697556 0.84 CYP3A4 (0.40) CYP3A4HPGDMEN1KMT2ACYP1A2
SCHEMBL5211767 0.84 CYP3A4 (0.40) CYP3A4HPGDMEN1KMT2ACYP1A2
SCHEMBL6064114 0.84 KMT2A (0.41) CYP3A4HPGDMEN1KMT2ACYP1A2
SCHEMBL30721628 0.84 THRB (0.43) CYP3A4HPGDMEN1KMT2ACYP1A2
SCHEMBL29169638 0.84 THRB (0.43) CYP3A4HPGDMEN1KMT2ACYP1A2
SCHEMBL2810235 0.83 CYP3A4 (0.44) CYP3A4HPGDMEN1KMT2ACYP1A2
SCHEMBL2046049 0.82 CYP3A4 (0.52) CYP3A4HPGDMEN1KMT2ACYP1A2
SCHEMBL1666399 0.80 SMN1; SMN2 (0.41) CYP3A4HPGDMEN1KMT2ACYP1A2
SCHEMBL12141654 0.80 CYP3A4 (0.42) CYP3A4HPGDMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125249-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK FIRMENICH SA (CH) 2023-04-27 US disclosed
US-20230125249-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK FIRMENICH SA (CH) 2023-04-27 US disclosed
WO-2017093938-A1 TETRAHYDROISOQUINOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2017-06-08 WO disclosed
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2010-11-04 US disclosed
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP disclosed
US-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2009-03-05 US disclosed
EP-1910359-A1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. Hoffmann-Roche AG (CH) 2008-04-16 EP disclosed
WO-2007009911-A1 PYRIDO [2 , 3-D] PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-01-25 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 (4 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-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP CYP3A4 1974/4885HPGD 2194/4885MEN1 4804/4885
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP CYP3A4 1974/4885HPGD 2194/4885MEN1 4804/4885
US-20230125249-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK TRPA1, TRPM5, TRPM8 CYP3A4 1581/4885HPGD 2196/4885MEN1 1989/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP CYP3A4 1974/4885HPGD 2194/4885MEN1 4804/4885

“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.