SCHEMBL12801456

SCHEMBL12801456

O=C(O)CN1CCN(CC(=O)O)CCN(C(CCCNC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)C(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 10/20 0.50
▸ YAP1 P46937 1/20 0.48
▸ TEAD4 Q15561 1/20 0.48
▸ TEAD2 Q15562 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.47
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MPO P05164 1/20 0.41

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
SCHEMBL18752850 0.95 RXFP1 (0.45) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL12801457 0.89 LMNA (0.54) RXFP1TEAD4MAPTPOLBLMNA
SCHEMBL18752846 0.84 LMNA (0.51) RXFP1TEAD4MAPTPOLBLMNA
SCHEMBL12801807 0.80 MT-CO2 (0.48) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL18752851 0.77 RXFP1 (0.54) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL12606017 0.76 RXFP1 (0.67) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL16386151 0.75 MT-CO2 (0.43) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL13929951 0.74 RXFP1 (0.64) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL1774875 0.74 RXFP1 (0.70) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL18286751 0.72 RXFP1 (0.53) RXFP1YAP1TEAD4TEAD2TRPV1

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-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium GUEREBET (FR) 2011-04-21 — — 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-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium KLK3, IGF1R, GIPR RXFP1 634/4885YAP1 1314/4885TEAD4 2223/4885

“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.

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