SCHEMBL21877308

SCHEMBL21877308

COc1ccc2c3c(c4c(c2c1)C=CC(c1ccccc1)(c1ccccc1)O4)-c1ccccc1C3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
ACHE P22303 2/20 0.35
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
ALOX5 P09917 2/20 0.33

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
SCHEMBL7792739 0.92 CA1 (0.35) CA1CA2CA4CA6ACHE
SCHEMBL21877240 0.90 MAPT (0.35) ACHEKDM4EMAPTMAPK1LMNA
SCHEMBL5101461 0.81 MEN1 (0.33) CA1CA2CA4CA6KDM4E
SCHEMBL13766143 0.81 DRD2 (0.34) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL21877400 0.80 NPC1 (0.33) CA1CA2CA4CA6KDM4E
SCHEMBL13766165 0.79 MEN1 (0.33) ACHEKDM4EALDH1A1HPGDCYP2C9
SCHEMBL31391372 0.79 MEN1 (0.32) CA1CA2CA4CA6KDM4E
SCHEMBL26289839 0.78 CA1 (0.33) CA1CA2CA4CA6ACHE
SCHEMBL14444800 0.77 MEN1 (0.34) ACHEKDM4EALDH1A1HPGDCYP2C9
SCHEMBL5094553 0.77 KDM4E (0.34) KDM4EALDH1A1HPGDCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11485812-B2 Pyranoquinazoline derivatives and naphthopyran derivatives KANTO KAGAKU KABUSHIKI KAISHA (JP) 2022-11-01 US disclosed
US-20200131193-A1 PYRANOQUINAZOLINE DERIVATIVES AND NAPHTHOPYRAN DERIVATIVES KANTO KAGAKU KABUSHIKI KAISHA (JP) 2020-04-30 US disclosed
US-20200131193-A1 PYRANOQUINAZOLINE DERIVATIVES AND NAPHTHOPYRAN DERIVATIVES KANTO KAGAKU KABUSHIKI KAISHA (JP) 2020-04-30 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 (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-11485812-B2 Pyranoquinazoline derivatives and naphthopyran derivatives PPOX, TYR, NQO1 CA1 4293/4885CA2 2929/4885CA4 703/4885
US-20200131193-A1 PYRANOQUINAZOLINE DERIVATIVES AND NAPHTHOPYRAN DERIVATIVES PPOX, TYR, NQO1 CA1 4268/4885CA2 2783/4885CA4 722/4885

“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.