SCHEMBL12637101

SCHEMBL12637101

COC(=O)NC1CCc2c(c3cc(OC(F)(F)F)ccc3n2Cc2cccc(F)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.44
HTR6 P50406 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
F2RL3 Q96RI0 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
SCHEMBL1880032 0.91 PTGDR2 (0.43) PTGDR2HTR6AKR1C3AKR1C2CYP2D6
SCHEMBL12637102 0.91 PTGDR2 (0.47) PTGDR2
SCHEMBL12637098 0.91 PTGDR2 (0.43) PTGDR2HTR6AKR1C3AKR1C2
SCHEMBL1882598 0.90 PTGDR2 (0.43) PTGDR2CYP2C9
SCHEMBL14624590 0.87 PTGDR2 (0.42) PTGDR2HTR6CYP2C9
SCHEMBL12637104 0.86 PTGDR2 (0.44) PTGDR2HTR6AKR1C3AKR1C2F2RL3
SCHEMBL1880007 0.86 PTGDR2 (0.41) PTGDR2HTR6CYP2C9
SCHEMBL1880004 0.86 PTGDR2 (0.41) PTGDR2HTR6CYP2C9
SCHEMBL16495274 0.85 PTGDR2 (0.38) PTGDR2CYP2D6CYP2C9F2RL3
SCHEMBL1879538 0.83 EGFR (0.43) PTGDR2HTR6AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935722-B2 Tetrahydrocarbazole derivatives useful as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-05-03 US disclosed
US-7935722-B2 Tetrahydrocarbazole derivatives useful as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-05-03 US disclosed
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS CELLECTIS (FR) 2010-01-28 US disclosed
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS CELLECTIS (FR) 2010-01-28 US 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 (1 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-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS AR, SHBG, CYP17A1 PTGDR2 437/4885HTR6 2621/4885AKR1C3 346/4885

“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.