SCHEMBL1802008

SCHEMBL1802008

O=Cc1cc(O)ccc1-c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.59
CYP3A4 P08684 5/20 0.52
CYP11B1 P15538 4/20 0.52
CYP11B2 P19099 3/20 0.52
CYP17A1 P05093 2/20 0.52
CYP19A1 P11511 2/20 0.51
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
CYP2A6 P11509 2/20 0.44
CYP2E1 P05181 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2B6 P20813 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.43
P4HB P07237 1/20 0.42
MIF P14174 1/20 0.42
CHEK1 O14757 1/20 0.41

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
SCHEMBL17009195 0.83 ERN1 (0.54) ERN1CYP3A4CYP17A1NPC1MAPT
SCHEMBL29057809 0.83 ERN1 (0.54) ERN1CYP3A4CYP11B1CYP11B2CYP17A1
SCHEMBL1647333 0.81 ALOX5 (0.59) NPC1RAB9AALDH1A1MIF
SCHEMBL14840485 0.80 ERN1 (0.57) ERN1CYP3A4CYP11B1MAPTCYP2A6
SCHEMBL894805 0.80 ERN1 (0.57) ERN1CYP3A4CYP11B1CYP11B2CYP19A1
SCHEMBL30252276 0.80 ERN1 (0.57) ERN1CYP3A4CYP11B1MAPTCYP2A6
SCHEMBL17615828 0.79 ERN1 (0.48) ERN1CYP3A4CYP11B1CYP11B2CYP17A1
SCHEMBL1847280 0.79 NPC1 (0.63) ERN1CYP3A4CYP11B1CYP11B2CYP17A1
SCHEMBL6709759 0.79 ERN1 (0.56) ERN1CYP3A4CYP11B1CYP11B2CYP17A1
SCHEMBL17205245 0.78 PTGS2 (0.59) ERN1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102781898-B GPBP inhibition using Q2 peptidomimetics FIBROSTATIN S L 2014-12-24 CN claimed
CN-102781898-A GPBP inhibition using Q2 peptidomimetics FIBROSTATIN S L 2012-11-14 CN claimed
EP-2496544-A1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS Fibrostatin, S.L. (SE) 2012-09-12 EP claimed
WO-2011054530-A1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS FIBROSTATIN, S.L. (ES) 2011-05-12 WO claimed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 US claimed
US-10544083-B2 GPBP inhibition using Q2 peptidomimetics UNIVERSITAT DE VALÈNCIA (ES) 2020-01-28 US disclosed
US-10544083-B2 GPBP inhibition using Q2 peptidomimetics UNIVERSITAT DE VALÈNCIA (ES) 2020-01-28 US disclosed
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2018-06-28 US disclosed
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2018-06-28 US disclosed
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics JUAN SAUS (ES) 2016-03-24 US disclosed
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics JUAN SAUS (ES) 2016-03-24 US disclosed
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics JUAN SAUS (ES) 2016-03-24 US disclosed
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2014-03-20 US disclosed
US-8586776-B2 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2013-11-19 US disclosed
US-8586776-B2 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2013-11-19 US disclosed
EP-2496544-A1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS Fibrostatin, S.L. (SE) 2012-09-12 EP disclosed
WO-2011054530-A1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS FIBROSTATIN, S.L. (ES) 2011-05-12 WO disclosed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 US disclosed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 US disclosed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 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 (5 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-10544083-B2 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 ERN1 429/4885CYP3A4 2717/4885CYP11B1 2299/4885
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 ERN1 429/4885CYP3A4 2717/4885CYP11B1 2299/4885
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 ERN1 429/4885CYP3A4 2717/4885CYP11B1 2299/4885
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 ERN1 429/4885CYP3A4 2717/4885CYP11B1 2299/4885
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 ERN1 429/4885CYP3A4 2717/4885CYP11B1 2299/4885

“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.