SCHEMBL6539348

SCHEMBL6539348

CCCCCOc1ccc(C#Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.82
TSHR P16473 1/20 0.82
PLA2G4B P0C869 8/20 0.79
RARB P10826 4/20 0.75
PLA2G4A P47712 1/20 0.71
HTT P42858 1/20 0.61
PLA2G2A P14555 1/20 0.58
PTPN11 Q06124 1/20 0.58

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
SCHEMBL9647259 0.98 TP53 (0.85) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL503727 0.92 TP53 (0.96) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL7470745 0.90 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1469965 0.90 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10778285 0.90 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1322922 0.90 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL503352 0.90 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10777726 0.90 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL3625733 0.90 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1163918 0.90 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA TP53 3997/4885TSHR 2112/4885PLA2G4B 4443/4885

“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.