SCHEMBL27259386

SCHEMBL27259386

O=Nc1ccc2cc(-c3ccc(-c4ccccc4)cc3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.52
▸ ESR2 Q92731 3/20 0.52
▸ PGR P06401 1/20 0.44
▸ CYP11B1 P15538 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ CYP17A1 P05093 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL27259593 0.90 GSTP1 (0.50) ESR1ESR2CYP11B1CYP11B2CYP17A1
SCHEMBL27251963 0.85 ESR1 (0.44) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL27251961 0.81 ESR1 (0.41) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL941460 0.81 HTR3E (0.54) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL464532 0.80 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL30304006 0.80 ESR1 (0.73) ESR1ESR2PGRCYP11B1CYP11B2
SCHEMBL16107069 0.80 ESR1 (0.73) ESR1ESR2PGRCYP11B1CYP11B2
SCHEMBL13179896 0.79 MAOA (0.44) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL28165444 0.79 MEN1 (0.47) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL27251882 0.76 CYP1A2 (0.41) ESR1ESR2ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024526-B2 Fused polycyclic aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2024-07-02 — — 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-12024526-B2 Fused polycyclic aromatic compound AHR, PAH, H1-2 ESR1 645/4885ESR2 255/4885PGR 426/4885

“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.

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