SCHEMBL6538579

SCHEMBL6538579

CCCCCCOc1ccc(C2(O)CCN(c3ccc(C(=O)O)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
TP53 P04637 1/20 0.61
PLA2G4B P0C869 8/20 0.60
RARB P10826 3/20 0.57
PLA2G4A P47712 1/20 0.55
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 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
SCHEMBL7339141 0.87 TSHR (0.76) TSHRTP53PLA2G4BRARBPLA2G4A
Hydrochloric Acid SCHEMBL7334829 0.86 TSHR (0.74) TSHRTP53PLA2G4BRARBPLA2G4A
Hydrochloric Acid SCHEMBL7330237 0.86 TSHR (0.74) TSHRTP53PLA2G4BRARBPLA2G4A
Hydrochloric Acid SCHEMBL6539254 0.86 TSHR (0.74) TSHRTP53PLA2G4BRARBPLA2G4A
SCHEMBL5186756 0.86 TSHR (0.73) TSHRTP53PLA2G4BRARBPLA2G4A
Hydrochloric Acid SCHEMBL7332274 0.85 TSHR (0.71) TSHRTP53PLA2G4BRARBPLA2G4A
SCHEMBL6539270 0.85 THRB (0.50) TSHRTP53PLA2G4BRARBTHRA
SCHEMBL15020023 0.82 DRD2 (0.53) TSHRTP53PLA2G4BRARBTHRA
SCHEMBL6538491 0.79 TSHR (0.62) TSHRTP53PLA2G4BRARBPLA2G4A
SCHEMBL22384186 0.79 MEN1 (0.57) TSHRTP53THRATHRBDRD2

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 TSHR 2112/4885TP53 3997/4885PLA2G4B 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.