SCHEMBL4700295

SCHEMBL4700295

O=C(Cl)C1=CC2CCC1CC2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C1 Q04828 1/20 0.31

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
SCHEMBL471786 0.89 CYP19A1 (0.36) CYP19A1
SCHEMBL7116412 0.72 CYP19A1 (0.35) CYP19A1
SCHEMBL218876 0.71 CYP19A1 (0.36) CYP19A1AKR1C3AKR1C1
SCHEMBL5057907 0.71 CYP19A1 (0.36) CYP19A1AKR1C3AKR1C1
SCHEMBL28451456 0.71 CYP19A1 (0.36) CYP19A1AKR1C3AKR1C1
SCHEMBL2000716 0.70 CYP19A1 (0.36) CYP19A1
SCHEMBL5620922 0.70 CYP19A1 (0.36) CYP19A1
SCHEMBL8986151 0.70 CYP19A1 (0.36) CYP19A1
SCHEMBL612395 0.70 CYP19A1 (0.36) CYP19A1
SCHEMBL18053347 0.69 TSHR (0.40) AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467979-B1 FUSED HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2008-08-13 EP disclosed
US-7342034-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 US disclosed
US-7342034-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 US disclosed
US-7342034-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 US disclosed
US-7291637-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291637-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291637-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7087636-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
EP-1467979-A4 FUSED HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF: MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-03-15 EP disclosed
US-20060020002-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-01-26 US disclosed
US-20050187273-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E (US) 2005-08-25 US disclosed
EP-1467979-A2 FUSED HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF: MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-20030181728-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-09-25 US disclosed
WO-2003053358-A2 FUSED HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF: MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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-20060020002-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NR5A2, NR5A1 CYP19A1 36/4885AKR1C3 535/4885AKR1C1 1055/4885
US-20050187273-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NR5A2, NR5A1 CYP19A1 36/4885AKR1C3 535/4885AKR1C1 1055/4885
US-20030181728-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NR5A2, NR5A1 CYP19A1 36/4885AKR1C3 535/4885AKR1C1 1055/4885

“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.