SCHEMBL5266596

SCHEMBL5266596

N#CCCCCOc1ccc(CC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 1/20 0.56
▸ LTB4R Q15722 5/20 0.50
▸ LTB4R2 Q9NPC1 5/20 0.50
▸ ALOX15 P16050 1/20 0.47
▸ TBXAS1 P24557 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ FFAR1 O14842 2/20 0.47
▸ POLB P06746 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL5271430 0.95 PLA2G4B (0.54) PLA2G4BLTB4RLTB4R2ALOX15TBXAS1
SCHEMBL5629002 0.90 CA2 (0.54) PLA2G4BLTB4RLTB4R2ALOX15TBXAS1
SCHEMBL11684213 0.87 PLA2G4B (0.69) PLA2G4BLTB4RLTB4R2ALOX15TBXAS1
SCHEMBL31502473 0.83 PLA2G4B (0.58) PLA2G4BLTB4RLTB4R2TBXAS1ALDH1A1
SCHEMBL5276433 0.82 PLA2G4B (0.57) PLA2G4BALDH1A1L3MBTL1PTPN11
SCHEMBL8767652 0.82 LTB4R (0.63) PLA2G4BLTB4RLTB4R2ALOX15LMNA
SCHEMBL11683055 0.81 PLA2G4B (0.61) PLA2G4BLTB4RLTB4R2ALOX15TBXAS1
SCHEMBL14844080 0.81 TP53 (0.61) PLA2G4BALDH1A1POLBTDP1L3MBTL1
SCHEMBL7400264 0.80 FFAR1 (0.50) PLA2G4BLTB4RLTB4R2TBXAS1LMNA
SCHEMBL7750520 0.79 PLA2G4B (0.60) PLA2G4BLTB4RLTB4R2TBXAS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 — — EP disclosed
EP-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 — — EP disclosed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 — — US disclosed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 — — US disclosed
US-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2005-10-06 — — US disclosed
EP-1456180-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER Vernalis (Oxford) Ltd (GB) 2004-09-15 — — EP disclosed
WO-2003055860-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER VERNALIS (CAMBRIDGE) LIMITED (GB) 2003-07-10 — — WO 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-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer HSP90AB1, HSP90AA1, HSP90AB2P PLA2G4B 2303/4885LTB4R 1889/4885LTB4R2 2018/4885

“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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