SCHEMBL4159796

SCHEMBL4159796

C(=C1c2ccccc2CCc2ccccc21)c1ccccc1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.44
NPY5R Q15761 1/20 0.42
CYP19A1 P11511 7/20 0.40
CYP11B2 P19099 6/20 0.40
CYP11B1 P15538 3/20 0.40
CYP1A2 P05177 3/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
HASPIN Q8TF76 1/20 0.37

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
SCHEMBL4155429 0.84 CYP19A1 (0.48) MIFCYP19A1CYP11B2CYP11B1MAPK1
SCHEMBL398499 0.74 KDM4E (0.50) CYP1A2LMNAKDM4ECCR1CCR5
SCHEMBL4167632 0.73 CYP11B2 (0.54) MIFNPY5RCYP19A1CYP11B2CYP11B1
SCHEMBL3438483 0.72 ALDH1A1 (0.44) MIFCYP1A2LMNAKDM4ECCR1
SCHEMBL14092324 0.72 CYP11B2 (0.53) CYP19A1CYP11B2CYP11B1HTR2B
SCHEMBL4161069 0.71 LMNA (0.48) MIFCYP19A1CYP11B2CYP11B1CYP1A2
SCHEMBL4167936 0.71 HSD11B1 (0.49) MIFCYP19A1CYP11B2CYP1A2LMNA
SCHEMBL4165324 0.71 CES1 (0.41) MIFCYP19A1CYP11B2CYP11B1CYP1A2
SCHEMBL4160618 0.71 MAPT (0.56) MIFCYP1A2LMNAKDM4EPKM
SCHEMBL893835 0.71 KDM4E (0.50) CYP1A2LMNAKDM4ECCR1CCR5

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 MIF 1642/4885NPY5R 440/4885CYP19A1 44/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 MIF 1592/4885NPY5R 373/4885CYP19A1 44/4885

“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.