SCHEMBL2998004

SCHEMBL2998004

CCc1c(C(=O)O)cccc1-c1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
GFER P55789 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.48
POLB P06746 2/20 0.48
GAA P10253 2/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
LPAR1 Q92633 1/20 0.46
BRS3 P32247 1/20 0.46
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PTPN1 P18031 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL1678808 0.87 KDM4E (0.56) SMN1; SMN2POLBGAATP53KDM4E
SCHEMBL10984209 0.84 HNF4A (0.58) SMN1; SMN2LTB4R2ALDH1A1
SCHEMBL269580 0.81 SMN1; SMN2 (0.70) SMN1; SMN2LTB4R2POLBGAAUSP2
SCHEMBL31344418 0.81 SMN1; SMN2 (0.38) SMN1; SMN2GFERLTB4R2POLBGAA
SCHEMBL2744891 0.80 SMN1; SMN2 (0.59) SMN1; SMN2LTB4R2POLBGAAUSP2
SCHEMBL13699903 0.80 ABL1 (0.47) SMN1; SMN2GFERGAATP53HPGD
SCHEMBL30473062 0.79 SMN1; SMN2 (0.51) SMN1; SMN2GFERLTB4R2POLBGAA
SCHEMBL8305586 0.79 SMN1; SMN2 (0.51) SMN1; SMN2GFERLTB4R2POLBGAA
SCHEMBL7179753 0.78 SLC6A2 (0.54) HDAC4HDAC2HDAC8CYP1A2CYP2D6
SCHEMBL13366166 0.78 ABL1 (0.49) SMN1; SMN2GFERTP53KDM4EALDH1A1

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 SMN1; SMN2 3249/4885GFER 1622/4885LTB4R2 1637/4885

“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.