SCHEMBL4167632

SCHEMBL4167632

C(=C1c2ccccc2CCc2ccccc21)c1ccccc1-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 16/20 0.54
CYP19A1 P11511 14/20 0.54
CYP11B1 P15538 13/20 0.54
CYP17A1 P05093 1/20 0.54
ALDH1A1 P00352 2/20 0.47
MIF P14174 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
NPY5R Q15761 1/20 0.43
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40

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 0.78 CYP19A1 (0.48) CYP11B2CYP19A1CYP11B1CYP17A1ALDH1A1
SCHEMBL10960411 0.76 CYP2A6 (0.50) CYP11B2CYP19A1CYP11B1CYP17A1ALDH1A1
SCHEMBL4159796 0.73 MIF (0.44) CYP11B2CYP19A1CYP11B1MIFPKM
SCHEMBL894805 0.73 ERN1 (0.57) CYP11B2CYP19A1CYP11B1ALDH1A1KMT2A
SCHEMBL30026143 0.71 CYP2A6 (0.70) CYP11B2CYP19A1CYP11B1CYP17A1ALDH1A1
SCHEMBL20541087 0.71 CYP2A6 (0.70) CYP11B2CYP19A1CYP11B1CYP17A1ALDH1A1
Fluorene SCHEMBL28302102 0.71 CYP11B1 (0.53) CYP11B2CYP19A1CYP11B1CYP17A1ALDH1A1
SCHEMBL4820412 0.70 CYP2A6 (0.47) CYP11B1ALDH1A1NPY5RCYP1A2CYP3A4
SCHEMBL10022099 0.70 CYP2A6 (0.47) CYP11B2CYP19A1CYP11B1ALDH1A1CYP1A2
SCHEMBL7930734 0.70 CYP2A6 (0.47) CYP11B1ALDH1A1KMT2ACYP1A2CYP3A4

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 6 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-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 CYP11B2 15/4885CYP19A1 44/4885CYP11B1 14/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 CYP11B2 17/4885CYP19A1 44/4885CYP11B1 15/4885

“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.