SCHEMBL10046483

SCHEMBL10046483

CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.76
MEN1 O00255 1/20 0.76
NPSR1 Q6W5P4 2/20 0.72
ALDH1A1 P00352 3/20 0.67
MAPT P10636 3/20 0.67
LMNA P02545 3/20 0.67
GAA P10253 2/20 0.67
KDM4E B2RXH2 1/20 0.67
NPC1 O15118 1/20 0.67
USP2 O75604 1/20 0.67
TP53 P04637 1/20 0.67
PKM P14618 1/20 0.67
HPGD P15428 1/20 0.67
ALOX15 P16050 1/20 0.67
ALOX12 P18054 1/20 0.67
MAPK1 P28482 1/20 0.67
AGTR1 P30556 1/20 0.67
HTT P42858 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HSD17B10 Q99714 1/20 0.67

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
SCHEMBL14890298 0.85 MEN1 (0.67) KMT2AMEN1NPSR1ALDH1A1MAPT
SCHEMBL6706698 0.83 ALDH1A1 (0.79) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL21467806 0.81 ALDH1A1 (1.00) KMT2AMEN1NPSR1ALDH1A1MAPT
SCHEMBL7817352 0.81 MAPT (0.71) KMT2AMEN1NPSR1ALDH1A1MAPT
SCHEMBL10046484 0.80 MEN1 (0.64) KMT2AMEN1NPSR1ALDH1A1MAPT
SCHEMBL10046487 0.79 GAA (0.73) KMT2AMEN1NPSR1ALDH1A1MAPT
SCHEMBL15347000 0.79 ATM (0.59) KMT2AMEN1NPSR1ALDH1A1MAPT
SCHEMBL7946942 0.77 ALDH1A1 (0.72) KMT2AMEN1NPSR1ALDH1A1MAPT
SCHEMBL12503135 0.77 LMNA (0.79) KMT2AMEN1NPSR1ALDH1A1MAPT
SCHEMBL10046616 0.77 ATM (0.57) KMT2AMEN1NPSR1ALDH1A1MAPT

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-20170370929-A1 POSITIVE ALLOSTERIC MODULATORS OF THE DELTA-OPIOID RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2017-12-28 US disclosed
WO-2016100605-A1 POSITIVE ALLOSTERIC MODULATORS OF THE DELTA-OPIOID RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-23 WO disclosed
US-8906416-B2 Xanthenedione derivatives for the treatment of pigmentation and skin ageing disorders PIERRE FABRE DERMO-COSMETIQUE (FR) 2014-12-09 US disclosed
US-8906416-B2 Xanthenedione derivatives for the treatment of pigmentation and skin ageing disorders PIERRE FABRE DERMO-COSMETIQUE (FR) 2014-12-09 US disclosed
US-8906416-B2 Xanthenedione derivatives for the treatment of pigmentation and skin ageing disorders PIERRE FABRE DERMO-COSMETIQUE (FR) 2014-12-09 US disclosed
US-20130108568-A1 XANTHENEDIONE DERIVATIVES FOR THE TREATMENT OF PIGMENTATION AND SKIN AGEING DISORDERS PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-05-02 US disclosed
US-20130108568-A1 XANTHENEDIONE DERIVATIVES FOR THE TREATMENT OF PIGMENTATION AND SKIN AGEING DISORDERS PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-05-02 US disclosed
US-20130108568-A1 XANTHENEDIONE DERIVATIVES FOR THE TREATMENT OF PIGMENTATION AND SKIN AGEING DISORDERS PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-05-02 US disclosed
WO-2012004390-A1 XANTHENEDIONE DERIVATIVES FOR THE TREATMENT OF PIGMENTATION AND SKIN AGEING DISORDERS PIERRE FABRE DERMO-COSMETIQUE (FR) 2012-01-12 WO 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-20130108568-A1 XANTHENEDIONE DERIVATIVES FOR THE TREATMENT OF PIGMENTATION AND SKIN AGEING DISORDERS ACOX3, CBR3, GALR3 KMT2A 4312/4885MEN1 2682/4885NPSR1 2023/4885

“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.