SCHEMBL4152403

SCHEMBL4152403

COc1cccc(C(O)C2c3ccccc3CCc3ccccc32)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
DRD1 P21728 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
ADRA1B P35368 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
KCNQ1 P51787 1/20 0.42
KCNH2 Q12809 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
CETP P11597 1/20 0.42
PIN1 Q13526 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 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
SCHEMBL4165843 0.90 CETP (0.47) TDP1DRD1HTR2AHTR2CCETP
SCHEMBL4170076 0.74 CETP (0.46) KDM4EKCNH2CETPPIN1ALDH1A1
SCHEMBL18306406 0.73 HTR2B (0.58) DRD2ADRA2BDRD1HTR2AHTR2C
SCHEMBL4039398 0.72 GID4 (0.49) DRD1HTR2AMEN1KMT2AALDH1A1
SCHEMBL4162181 0.72 ACP3 (0.39) DRD2ADRA2BDRD1HTR2AHTR2C
SCHEMBL4157911 0.71 GID4 (0.48) DRD1HTR2AOPRK1KCNH2CETP
SCHEMBL4164969 0.71 CETP (0.43) KDM4EDRD1CETPPIN1ALDH1A1
SCHEMBL18550495 0.71 ALDH1A1 (0.55) KDM4ESIGMAR1MEN1KMT2AATM
SCHEMBL18287932 0.70 ALDH1A1 (0.57) KDM4EDRD2ADRA2BDRD1HTR2A
SCHEMBL3048145 0.69 HTR2C (0.55) DRD2ADRA2BDRD1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 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 (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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 TDP1 3931/4885KDM4E 3196/4885DRD2 3236/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 TDP1 4121/4885KDM4E 3207/4885DRD2 3204/4885

“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.