SCHEMBL4155180

SCHEMBL4155180

COc1cc(Br)cc(C(O)C2c3ccccc3CCc3ccccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.41
GID4 Q8IVV7 2/20 0.40
MAOA P21397 1/20 0.38
PIN1 Q13526 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PRMT5 O14744 1/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTR2A P28223 2/20 0.36
CETP P11597 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL4039398 0.85 GID4 (0.49) DRD1GID4MEN1KMT2AALDH1A1
SCHEMBL4157911 0.82 GID4 (0.48) DRD1GID4PRMT5ALDH1A1HTR2A
SCHEMBL4164969 0.78 CETP (0.43) DRD1PIN1ALDH1A1MAPTCETP
SCHEMBL4043081 0.77 SLC18A3 (0.41) KMT2AMAPTHTR2A
SCHEMBL4165348 0.77 LMNA (0.43) KMT2APRMT5HTR2A
SCHEMBL4528123 0.77 HTR2A (0.50) DRD1GID4MEN1KMT2AALDH1A1
SCHEMBL4170076 0.76 CETP (0.46) PIN1ALDH1A1MAPTCETP
SCHEMBL13801969 0.73 ACP3 (0.43) TSHRHTR2A
SCHEMBL4165843 0.72 CETP (0.47) DRD1PIN1MEN1KMT2ATSHR
SCHEMBL30655591 0.71 BRD4 (0.51) MEN1KMT2A

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 DRD1 3504/4885GID4 1541/4885MAOA 2086/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 DRD1 3452/4885GID4 1546/4885MAOA 2009/4885

“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.