SCHEMBL17191925

SCHEMBL17191925

CC(C)[n+]1ccc2cc(O)c(O)cc2c1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.31
ALOX12 P18054 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ESR1 P03372 2/20 0.31
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 2/20 0.31
RECQL P46063 2/20 0.31
KMT2A Q03164 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 2/20 0.31
UGT2B7 P16662 1/20 0.31
NR1I2 O75469 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
NR3C1 P04150 1/20 0.31

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
SCHEMBL15631160 0.74 UGT2B7 (0.37) ALOX15ALOX12KDM4EMEN1ALDH1A1
SCHEMBL19420685 0.74 ESR1 (0.31) ESR1
SCHEMBL17192066 0.74 BCL2 (0.41) ALOX15ALOX12KDM4EMEN1ALDH1A1
SCHEMBL17192068 0.74 BCL2 (0.41) ALOX15ALOX12KDM4EMEN1ALDH1A1
SCHEMBL12381060 0.74 GABRA1 (0.34) ALOX15ALOX12KDM4EMEN1ALDH1A1
SCHEMBL15631167 0.73 UGT2B7 (0.40) ALOX12MEN1ALDH1A1KMT2AHIF1A
SCHEMBL15495197 0.72 QDPR (0.45) ALDH1A1CYP1A2GLAADORA3MAPT
SCHEMBL1128429 0.72 ACHE (0.42)
SCHEMBL19420687 0.72 PTPN22 (0.42) KDM4EMEN1ALDH1A1KMT2AHIF1A
SCHEMBL19420686 0.72 PTPN22 (0.42) HIF1A

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-20190100534-A1 Cephem Compounds with Latent Reactive Groups GLADIUS PHARMACEUTICALS INC (CA) 2019-04-04 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 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 (3 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL ALOX15 4255/4885ALOX12 3953/4885KDM4E 1724/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 ALOX15 4566/4885ALOX12 4210/4885KDM4E 2208/4885
US-20190100534-A1 Cephem Compounds with Latent Reactive Groups PGLS, GNE, COMT ALOX15 2893/4885ALOX12 2128/4885KDM4E 368/4885

“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.