SCHEMBL5149289

SCHEMBL5149289

O=C(O)c1cccc(-c2cc(F)c(F)c(F)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.63
▸ ERN1 O75460 3/20 0.63
▸ RXRA P19793 2/20 0.61
▸ RXRB P28702 2/20 0.61
▸ MAP2K4 P45985 1/20 0.49
▸ AKR1C3 P42330 1/20 0.49
▸ AKR1C2 P52895 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ DHODH Q02127 1/20 0.49
▸ KEAP1 Q14145 1/20 0.49
▸ MAOA P21397 1/20 0.48
▸ BLVRB P30043 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA6 P23280 1/20 0.47

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
SCHEMBL411715 0.87 ERN1 (0.75) KMOERN1RXRARXRBAKR1C3
SCHEMBL13137668 0.85 KMO (0.63) KMOERN1RXRARXRBAKR1C3
SCHEMBL10012987 0.84 KMO (0.79) KMOERN1RXRARXRBLMNA
SCHEMBL16429234 0.84 KMO (0.87) KMOERN1RXRARXRBLMNA
SCHEMBL71238 0.84 KMO (0.86) KMOERN1RXRARXRBLMNA
SCHEMBL30725957 0.84 KMO (0.86) KMOERN1RXRARXRBLMNA
SCHEMBL29904709 0.84 KMO (0.86) KMOERN1RXRARXRBLMNA
SCHEMBL29784144 0.83 KMO (0.66) KMOERN1RXRARXRBMAP2K4
SCHEMBL410738 0.83 KMO (0.66) KMOERN1RXRARXRBMAP2K4
SCHEMBL686622 0.82 KMO (0.76) KMOERN1RXRARXRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 — — US claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 — — 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R KMO 190/4885ERN1 4704/4885RXRA 1256/4885

“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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