SCHEMBL4165843

SCHEMBL4165843

COc1ccccc1C(O)C1c2ccccc2CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.47
PIN1 Q13526 2/20 0.46
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
OPRM1 P35372 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HTR2A P28223 2/20 0.38
TSHR P16473 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL4152403 0.90 TDP1 (0.45) CETPPIN1KMT2AMEN1TAS1R3
SCHEMBL4170076 0.80 CETP (0.46) CETPPIN1PDE4APDE4BPDE4C
SCHEMBL4162181 0.78 ACP3 (0.39) KMT2ACHRM1CHRM3HTR2ADRD1
SCHEMBL4157911 0.77 GID4 (0.48) CETPOPRM1HTR2ADRD1
SCHEMBL4164969 0.76 CETP (0.43) CETPPIN1PDE4APDE4BPDE4C
SCHEMBL4039398 0.75 GID4 (0.49) KMT2AMEN1OPRM1HTR2ADRD1
SCHEMBL4610480 0.73 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4610694 0.73 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13801969 0.73 ACP3 (0.43) HTR2ATSHR
SCHEMBL10754709 0.72 HTR2A (0.50) CETPCHRM1CHRM3HTR2AHTR2C

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 CETP 509/4885PIN1 1974/4885KMT2A 2460/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 CETP 498/4885PIN1 1737/4885KMT2A 2288/4885

“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.