SCHEMBL3781359

SCHEMBL3781359

CCCCCCC(=O)c1ccc2c(c1)CC(=O)O2.CCCCNC(=N)c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HSD17B3 P37058 6/20 0.33
GPR84 Q9NQS5 2/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL1827625 0.80 HSD17B3 (0.50) ALDH1A1KDM4EHSD17B3
SCHEMBL1829208 0.79 RXFP1 (0.50) RXFP1ALDH1A1KDM4EGAAGPR84
SCHEMBL6763737 0.67 MAPT (0.50) RXFP1ALDH1A1KDM4EGAAHSD17B3
SCHEMBL12658564 0.66 MEN1 (0.41) KDM4EGAAHSD17B3SMYD3LMNA
SCHEMBL11347318 0.66 GPR84 (0.44) RXFP1ALDH1A1KDM4EGAAGPR84
SCHEMBL11343726 0.66 GPR84 (0.44) RXFP1ALDH1A1KDM4EGAAGPR84
SCHEMBL11343991 0.66 GPR84 (0.44) RXFP1ALDH1A1KDM4EGAAGPR84
SCHEMBL11335616 0.66 SMN1; SMN2 (0.43) RXFP1ALDH1A1KDM4EGAAGPR84
SCHEMBL11354053 0.65 GPR84 (0.43) RXFP1ALDH1A1KDM4EGAAGPR84
SCHEMBL4851937 0.64 KDM4E (0.41) ALDH1A1KDM4EGAASMYD3LMNA

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-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 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-20100323999-A1 Therapeutic Molecules and Methods-1 MIF, IL1B, IL1A RXFP1 589/4885ALDH1A1 329/4885KDM4E 4289/4885

“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.