SCHEMBL10073878

SCHEMBL10073878

COc1ccc(C(O)c2ccc(C(c3ccccc3)c3ccc(C(O)c4ccc(OC)cc4)[nH]3)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
NR3C2 P08235 1/20 0.46
AR P10275 1/20 0.46
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.39
PBRM1 Q86U86 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC2A1 P11166 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
BACE1 P56817 1/20 0.39
HSD17B2 P37059 1/20 0.39

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
SCHEMBL477621 0.80 ACP3 (0.61) ACP3TSHRGAAMAPK1ALDH1A1
SCHEMBL477389 0.80 ACP3 (0.61) ACP3TSHRGAAMAPK1ALDH1A1
SCHEMBL477466 0.80 ACP3 (0.61) ACP3TSHRGAAMAPK1ALDH1A1
SCHEMBL13295537 0.76 SLC2A1 (0.61) ACP3NR3C1PGRNR3C2AR
SCHEMBL34971 0.76 SLC2A1 (0.61) ACP3NR3C1PGRNR3C2AR
SCHEMBL40557 0.76 SLC2A1 (0.61) ACP3NR3C1PGRNR3C2AR
SCHEMBL13295535 0.76 SLC2A1 (0.61) ACP3NR3C1PGRNR3C2AR
SCHEMBL13295540 0.76 SLC2A1 (0.61) ACP3NR3C1PGRNR3C2AR
SCHEMBL14205685 0.76 SLC2A1 (0.61) ACP3NR3C1PGRNR3C2AR
SCHEMBL439140 0.75 MLKL (0.41) TSHRGAAALDH1A1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129520-B2 Methods and intermediates for the synthesis of dipyrrin-substituted porphyrinic macrocycles NORTH CAROLINA STATE UNIVERSITY (US) 2012-03-06 US disclosed
US-20110197969-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES UNITED STATES DEPARTMENT OF ENERGY 2011-08-18 US disclosed
US-7947828-B2 Methods and intermediates for the synthesis of dipyrrin-substituted porphyrinic macrocycles NORTH CAROLINA STATE UNIVERSITY (US) 2011-05-24 US disclosed
US-20100200066-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES UNITED STATE DEPARTMENT OF ENERGY 2010-08-12 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-20100200066-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES HCCS, PPOX, DHPS ACP3 3864/4885NR3C1 3827/4885PGR 3825/4885
US-20110197969-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES HCCS, PPOX, DHPS ACP3 3864/4885NR3C1 3827/4885PGR 3825/4885

“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.