SCHEMBL4507645

SCHEMBL4507645

O=C1OCCC1Sc1ccc(CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.55
CRBN Q96SW2 2/20 0.55
ALDH1A1 P00352 7/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 3/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 4/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MC4R P32245 1/20 0.41
RECQL P46063 1/20 0.40
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
PPARG P37231 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
SCHEMBL14517050 0.84 ALDH1A1 (0.56) DDB1CRBNALDH1A1L3MBTL1CYP2C19
SCHEMBL877603 0.79 POLB (0.53) DDB1CRBNALDH1A1L3MBTL1CYP2C19
SCHEMBL873535 0.79 DDB1 (0.51) DDB1CRBNALDH1A1L3MBTL1CYP2C19
SCHEMBL875841 0.79 MAPK1 (0.58) ALDH1A1L3MBTL1CYP2C19CYP1A2CYP3A4
SCHEMBL15746491 0.79 DDB1 (0.51) DDB1CRBNALDH1A1L3MBTL1CYP2C19
SCHEMBL4491902 0.79 KMT2A (0.44) ALDH1A1L3MBTL1CYP2C19CYP1A2CYP3A4
SCHEMBL4501819 0.79 KMT2A (0.44) ALDH1A1L3MBTL1CYP2C19CYP1A2CYP3A4
SCHEMBL7981025 0.78 MAPK1 (0.56) DDB1CRBNALDH1A1L3MBTL1CYP2C19
SCHEMBL872472 0.78 DDB1 (0.55) DDB1CRBNALDH1A1L3MBTL1CYP2C19
SCHEMBL31708217 0.76 HSD17B10 (0.44) ALDH1A1L3MBTL1CYP2C19CYP1A2CYP3A4

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-7553842-B2 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. (US) 2009-06-30 US disclosed
EP-1838316-A2 MACROCYCLIC ANALOGS FOR THE TREATMENT OF IMMUNOREGULATORY DISORDERS AND RESPIRATORY DISEASES Array Biopharma, Inc. (US) 2007-10-03 EP disclosed
WO-2006078724-A2 MACROCYCLIC ANALOGS FOR THE TREATMENT OF IMMUNOREGULATORY DISORDERS AND RESPIRATORY DISEASES ARRAY BIOPHARMA NC. (US) 2006-07-27 WO disclosed
US-20060160838-A1 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. 2006-07-20 US 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-20060160838-A1 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases TSLP, XDH, IFNG DDB1 4104/4885CRBN 2677/4885ALDH1A1 1573/4885

“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.