SCHEMBL6135499

SCHEMBL6135499

COCCCCCCOC1CCC(N2CCC(c3ccc(C(=O)OC)cc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CCR2 P41597 1/20 0.41
KCNH2 Q12809 1/20 0.41
ESRRG P62508 7/20 0.39
ESRRB O95718 4/20 0.37
ESR1 P03372 2/20 0.37
HRH3 Q9Y5N1 2/20 0.36
ESRRA P11474 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
LSS P48449 1/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL6133692 0.96 KDM4E (0.39) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL6133163 0.91 ALDH1A1 (0.44) KDM4EALDH1A1ESRRGESRRBESR1
SCHEMBL6134373 0.90 DGAT1 (0.41) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL64063 0.84 KDM4E (0.56) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL6134940 0.83 HRH3 (0.48) HRH3
SCHEMBL6132214 0.82 MEN1 (0.43) KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL6133892 0.81 CSNK2A2 (0.42) ESRRGHRH3
SCHEMBL6134824 0.80 HRH1 (0.48) KDM4EALDH1A1CCR2HRH3HTT
SCHEMBL4652116 0.79 SLC18A3 (0.53) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL6134754 0.78 HRH3 (0.45) ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 KDM4E 4301/4885ALDH1A1 3841/4885GAA 205/4885

“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.