SCHEMBL2998010

SCHEMBL2998010

CCc1cc(OC)ccc1-c1cccc(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.54
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MRGPRX4 Q96LA9 2/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP2C8 P10632 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.48

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
SCHEMBL2997363 0.84 SRD5A2 (0.63) PTPN11GAARAB9ASMN1; SMN2NPC1
SCHEMBL4171948 0.83 CYP2C8 (0.69) PTPN11LMNAGAARAB9ASMN1; SMN2
SCHEMBL4961133 0.82 PTPN1 (0.50) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL2997357 0.81 SMN1; SMN2 (0.56) PTPN11RAB9ASMN1; SMN2MRGPRX4NPC1
SCHEMBL12663514 0.80 AKR1C3 (0.51) PTPN11LMNAGAAMRGPRX4FOLH1
SCHEMBL15266493 0.80 THRA (0.53) LMNAGAARAB9ASMN1; SMN2MRGPRX4
SCHEMBL4602802 0.80 HDAC4 (0.62) LMNAGAARAB9ASMN1; SMN2MRGPRX4
SCHEMBL26365859 0.79 FOLH1 (0.62) PTPN11LMNAGAARAB9ASMN1; SMN2
SCHEMBL4254012 0.79 STIM1 (0.62) LMNAGAARAB9ASMN1; SMN2MRGPRX4
SCHEMBL14980440 0.78 MTNR1A (0.47) LMNAMTNR1AMTNR1BRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines SALTIGO GMBH (DE) 2010-07-22 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 (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-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines MON2, ZRANB2, GRIA2 PTPN11 2250/4885LMNA 3666/4885GAA 4234/4885

“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.