SCHEMBL19729157

SCHEMBL19729157

NCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 5/20 0.67
▸ PKM P14618 1/20 0.61
▸ TSHR P16473 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ PLA2G4B P0C869 5/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ MAPK1 P28482 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ USP2 O75604 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ SRD5A2 P31213 1/20 0.51
▸ PLA2G4A P47712 1/20 0.51

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
SCHEMBL12818961 0.95 PKM (0.67) RARBPKMTSHRTP53PLA2G4B
Hydrochloric Acid SCHEMBL15409937 0.93 PKM (0.65) RARBPKMTSHRTP53PLA2G4B
SCHEMBL14384080 0.89 TP53 (0.67) RARBPKMTSHRTP53PLA2G4B
Hydrochloric Acid SCHEMBL28033680 0.88 TP53 (0.65) RARBPKMTSHRTP53PLA2G4B
SCHEMBL8569877 0.87 PKM (0.78) RARBPKMTSHRTP53PLA2G4B
SCHEMBL452572 0.85 PKM (0.69) RARBPKMTSHRTP53PLA2G4B
SCHEMBL8086185 0.84 PKM (0.79) RARBPKMTSHRTP53PLA2G4B
SCHEMBL7315727 0.84 PKM (0.79) RARBPKMTSHRTP53PLA2G4B
SCHEMBL7336812 0.84 RARB (0.90) RARBPKMTSHRTP53PLA2G4B
SCHEMBL7595951 0.84 RARB (0.69) RARBPKMTSHRTP53PLA2G4B

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-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-12-21 — — US disclosed
US-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-12-21 — — 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-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY PBDC1, RCC1, PUF60 RARB 1860/4885PKM 646/4885TSHR 4492/4885

“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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