SCHEMBL6134891

SCHEMBL6134891

CCCCC1(OC)CCN(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.46
KDM4E B2RXH2 1/20 0.43
HDAC3 O15379 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.39
PLA2G4B P0C869 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6689980 0.88 CSNK2A2 (0.46) USP2
SCHEMBL2942401 0.87 USP2 (0.50) USP2KDM4ETSHRTP53ALDH1A1
SCHEMBL6134196 0.86 HTT (0.46) KDM4ETSHRALDH1A1CYP3A4MAPT
SCHEMBL6134369 0.86 HDAC3 (0.46) KDM4EHDAC3HDAC8TSHRALDH1A1
SCHEMBL6688934 0.84 RARB (0.43) SMN1; SMN2
SCHEMBL6134615 0.83 HDAC3 (0.48) KDM4EHDAC3HDAC8TSHRALDH1A1
SCHEMBL2948234 0.80 USP2 (0.46) USP2KDM4ETSHRTP53ALDH1A1
SCHEMBL6134410 0.79 ALDH1A1 (0.41) USP2KDM4ETSHRALDH1A1SMN1; SMN2
SCHEMBL6134696 0.77 CSNK1D (0.42) KDM4EHDAC3HDAC8TSHRALDH1A1
SCHEMBL1742050 0.77 USP2 (0.49) USP2KDM4EHDAC3HDAC8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004014-A1 Fungicides, microbiocides; glucanase inhibitor; prophylaxis, therapy for pneumocystis infections in humans, animals FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
WO-2004113368-A1 CYCLIC LIPOPEPTIDES ASTELLAS PHARMA INC. (JP) 2004-12-29 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-20050004014-A1 Fungicides, microbiocides; glucanase inhibitor; prophylaxis, therapy for pneumocystis infections in humans, animals MAN2B1, MAN2A1, MANBA USP2 4279/4885KDM4E 3543/4885HDAC3 861/4885

“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.