SCHEMBL6538754

SCHEMBL6538754

CCCCCCOc1ccc(N2CCN(c3ccc(C(=O)OCC)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.59
THRB P10828 3/20 0.59
MAPT P10636 3/20 0.57
TSHR P16473 2/20 0.57
HPGD P15428 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KCNH2 Q12809 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
POLB P06746 1/20 0.56
TP53 P04637 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HIF1A Q16665 1/20 0.55
PLA2G4B P0C869 1/20 0.53
PLA2G2A P14555 3/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RARB P10826 3/20 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
SCHEMBL6132957 0.91 HRH3 (0.55) THRATHRBMAPTTSHRHPGD
SCHEMBL7332594 0.90 THRA (0.51) THRATHRBMAPTTSHRHPGD
SCHEMBL6538509 0.89 THRA (0.49) THRATHRBMAPTTSHRHPGD
SCHEMBL9636880 0.88 TP53 (0.69) MAPTTSHRTP53ALDH1A1PLA2G4B
SCHEMBL5219438 0.88 TP53 (0.69) MAPTTSHRTP53ALDH1A1PLA2G4B
SCHEMBL14672532 0.88 TP53 (0.69) MAPTTSHRTP53ALDH1A1PLA2G4B
SCHEMBL5215164 0.88 TP53 (0.69) MAPTTSHRTP53ALDH1A1PLA2G4B
SCHEMBL5215917 0.88 TP53 (0.69) MAPTTSHRTP53ALDH1A1PLA2G4B
SCHEMBL11126885 0.88 TP53 (0.69) MAPTTSHRTP53ALDH1A1PLA2G4B
SCHEMBL5219396 0.88 TP53 (0.69) MAPTTSHRTP53ALDH1A1PLA2G4B

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 THRA 3349/4885THRB 2786/4885MAPT 3196/4885

“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.