SCHEMBL4040922

SCHEMBL4040922

C=C1c2ccccc2CCc2cc(O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.46
SRD5A2 P31213 1/20 0.46
NTRK1 P04629 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CCNA1 P78396 1/20 0.46
MIF P14174 6/20 0.45
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.44
PRKCI P41743 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP26A1 O43174 4/20 0.43
PBRM1 Q86U86 1/20 0.43
MAPK14 Q16539 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
CES1 P23141 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
SCHEMBL8460792 0.88 SRD5A1 (0.56) SRD5A1SRD5A2NTRK1CCNA2CDK2
SCHEMBL4039247 0.82 CES1 (0.56) SRD5A1SRD5A2NTRK1MAOBMAOA
SCHEMBL4040669 0.81 CES1 (0.61) MIFMAOBMAOAPRKCICYP26A1
SCHEMBL29669379 0.81 CES1 (0.61) MIFMAOBMAOAPRKCICYP26A1
SCHEMBL4047498 0.77 MIF (0.46) SRD5A1SRD5A2NTRK1CCNA2CDK2
SCHEMBL4047500 0.77 MIF (0.46) SRD5A1SRD5A2NTRK1CCNA2CDK2
SCHEMBL784291 0.77 MAOB (0.59) NTRK1CCNA2CDK2CCNA1MIF
SCHEMBL12442922 0.76 MAOB (0.50) NTRK1CCNA2CDK2CCNA1MIF
SCHEMBL4170410 0.75 MIF (0.56) MIFMAOBMAOACYP26A1
SCHEMBL4170407 0.75 MIF (0.56) MIFMAOBMAOACYP26A1

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 12 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
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP disclosed
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP 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
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 WO 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 SRD5A1 35/4885SRD5A2 38/4885NTRK1 632/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 SRD5A1 41/4885SRD5A2 40/4885NTRK1 575/4885

“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.