SCHEMBL12401716

SCHEMBL12401716

O=C(O)C1=C(O)c2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.49
MAOA P21397 2/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
NOTUM Q6P988 1/20 0.41
TSHR P16473 2/20 0.41
PPARG P37231 1/20 0.41
CYP2C9 P11712 1/20 0.41
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
SRD5A1 P18405 1/20 0.41
CYP1A2 P05177 4/20 0.40
ADRA2A P08913 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2B P41595 1/20 0.40
GSR P00390 1/20 0.40

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
SCHEMBL24282949 0.82 ALDH1A1 (0.51) SRD5A2MAOAALDH1A1HPGDKDM4E
SCHEMBL29935354 0.78 HSD11B1 (0.54) SRD5A2MAOAALDH1A1TSHRPPARG
SCHEMBL714287 0.78 HSD11B1 (0.54) SRD5A2MAOAALDH1A1TSHRPPARG
SCHEMBL17701125 0.78 CYP1A2 (0.48) SRD5A2MAOAALDH1A1NOTUMTSHR
SCHEMBL30225424 0.78 CYP1A2 (0.48) SRD5A2MAOAALDH1A1NOTUMTSHR
SCHEMBL12401719 0.78 KDM4E (0.47) MAOAALDH1A1HPGDKDM4ELMNA
SCHEMBL27780605 0.77 SRD5A2 (0.46) SRD5A2MAOAALDH1A1LMNATSHR
SCHEMBL11107021 0.74 SRD5A2 (0.44) SRD5A2MAOAALDH1A1HPGDKDM4E
Fluorene SCHEMBL8840919 0.73 SRD5A2 (0.64) SRD5A2MAOAALDH1A1HPGDKDM4E
SCHEMBL20930114 0.72 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ELMNATSHR

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-8552033-B2 Inhibitors of CXCR2 SANOFI (FR) 2013-10-08 US disclosed
US-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 US disclosed
US-20090215827-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2009-08-27 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 (2 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-20110184177-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 SRD5A2 1146/4885MAOA 3524/4885ALDH1A1 1443/4885
US-20090215827-A1 INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR4 SRD5A2 1546/4885MAOA 3443/4885ALDH1A1 1690/4885

“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.