SCHEMBL21058341

SCHEMBL21058341

Nc1cc(/C(=C\C(=O)O)C2CC(F)(F)C2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.39
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HPGD P15428 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KMO O15229 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL22758020 0.84 KDM4E (0.39) KDM4ELMNASMN1; SMN2HPGDALDH1A1
SCHEMBL14797918 0.83 HSD11B1 (0.41) KDM4ELMNASMN1; SMN2HPGDALDH1A1
SCHEMBL14797917 0.83 HSD11B1 (0.41) KDM4ELMNASMN1; SMN2HPGDALDH1A1
SCHEMBL13471772 0.83 ALOX15 (0.38) KDM4ELMNASMN1; SMN2HPGDALDH1A1
SCHEMBL20381712 0.75 KDM4E (0.38) KDM4ELMNASMN1; SMN2HPGDALDH1A1
SCHEMBL29743263 0.70 KDM4E (0.50) KDM4ELMNASMN1; SMN2HPGDALDH1A1
SCHEMBL21058367 0.68 KDM4E (0.40) KDM4ELMNASMN1; SMN2HPGDALDH1A1
SCHEMBL21098997 0.68 KDM4E (0.44) KDM4ELMNASMN1; SMN2HPGDALDH1A1
SCHEMBL16566770 0.67 KDM4E (0.47) KDM4ELMNASMN1; SMN2HPGDALDH1A1
SCHEMBL51027 0.67 TSHR (0.65) KDM4ELMNASMN1; SMN2HPGDALDH1A1

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-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-06-20 — — 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-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA KDM4E 4051/4885LMNA 195/4885SMN1; SMN2 2527/4885

“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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