SCHEMBL4170324

SCHEMBL4170324

COc1ccc2c(CC=O)coc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.52
CYP11B2 P19099 3/20 0.52
MAPT P10636 4/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 4/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
PIN1 Q13526 1/20 0.49
TSHR P16473 2/20 0.48
CYP19A1 P11511 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL23188008 0.84 CYP11B1 (0.57) CYP11B1CYP11B2MAPTTDP1KDM4E
SCHEMBL1451105 0.80 KDM4E (0.53) CYP11B1CYP11B2MAPTTDP1KDM4E
SCHEMBL12687891 0.79 CYP2D6 (0.68) MAPTKDM4ERAB9AALDH1A1GAA
SCHEMBL17338651 0.78 PPARD (0.52) TDP1RAB9AMAOAMAOBNPC1
SCHEMBL204937 0.78 MAPT (0.67) MAPTTDP1KDM4ERAB9AMEN1
SCHEMBL4137019 0.77 MTNR1A (0.51) CYP11B1CYP11B2MAPTTDP1KDM4E
SCHEMBL1104013 0.77 ADRA1A (0.53) CYP11B1CYP11B2MAPTTDP1KDM4E
SCHEMBL4131741 0.77 PIN1 (0.54) CYP11B1CYP11B2MAPTTDP1KDM4E
SCHEMBL29817357 0.77 CYP11B1 (0.67) CYP11B1CYP11B2MAPTKDM4ERAB9A
SCHEMBL15356100 0.77 MAPT (0.50) CYP11B1CYP11B2MAPTTDP1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
EP-2001868-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2013-07-17 EP disclosed
US-8232298-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-31 US disclosed
US-20090149493-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN-CILAG (FR) 2009-06-11 US disclosed
EP-2001868-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 Janssen Pharmaceutica, N.V. (BE) 2008-12-17 EP disclosed
WO-2007107543-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-27 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 (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-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 CYP11B1 968/4885CYP11B2 986/4885MAPT 3739/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 CYP11B1 661/4885CYP11B2 649/4885MAPT 4252/4885
US-20090149493-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 CYP11B1 2234/4885CYP11B2 2997/4885MAPT 802/4885

“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.