SCHEMBL5523044

SCHEMBL5523044

CC(C)(C)OC(=O)C1(c2ccc(Br)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.48
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CPB2 Q96IY4 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
RAB9A P51151 10/20 0.34
NPC1 O15118 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
MITF O75030 1/20 0.32

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
SCHEMBL22558694 0.87 DGAT1 (0.43) DGAT1ALDH1A1KDM4ECPB2OPRM1
SCHEMBL15897081 0.84 RAB9A (0.42) DGAT1ALDH1A1KDM4ERAB9ANPC1
SCHEMBL27639608 0.80 DGAT1 (0.38) DGAT1ALDH1A1KDM4ECPB2OPRM1
SCHEMBL22290800 0.79 DGAT1 (0.38) DGAT1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28757857 0.79 DGAT1 (0.45) DGAT1ALDH1A1KDM4ECPB2OPRM1
SCHEMBL20919672 0.78 RAB9A (0.40) DGAT1ALDH1A1KDM4ERAB9ANPC1
SCHEMBL349475 0.77 RORC (0.41) DGAT1ALDH1A1OPRM1RAB9ANPC1
SCHEMBL5519762 0.77 DGAT1 (0.41) DGAT1ALDH1A1KDM4ECPB2RAB9A
SCHEMBL5526276 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EOPRM1OPRL1RAB9A
SCHEMBL22615353 0.76 DGAT1 (0.40) DGAT1ALDH1A1KDM4ECPB2RAB9A

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-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo MERCK & CO., INC. 2007-08-09 US disclosed
CN-1816545-A Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO INC (US) 2006-08-09 CN disclosed
EP-1654259-A1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-05-10 EP disclosed
WO-2005005420-A1 CYCLOPROPYL GROUP SUBSTITUTED OYAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 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-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo IL17A, COASY, OXA1L DGAT1 2690/4885ALDH1A1 1166/4885KDM4E 2970/4885

“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.