SCHEMBL22609991

SCHEMBL22609991

O=C1C=CC(=O)c2c1ccc1ccccc21.O=C1C=Cc2ccc3ccccc3c2C1=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.81
MEN1 O00255 4/20 0.64
ALDH1A1 P00352 4/20 0.64
KMT2A Q03164 4/20 0.64
HPGD P15428 3/20 0.64
LMNA P02545 2/20 0.64
USP2 O75604 2/20 0.64
TP53 P04637 2/20 0.64
MAPK1 P28482 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
ALOX12 P18054 1/20 0.64
CYP2C19 P33261 1/20 0.64
HIF1A Q16665 1/20 0.64
CDC25A P30304 5/20 0.51
CDC25C P30307 5/20 0.51
ARSA P15289 1/20 0.48
DNMT1 P26358 1/20 0.47
NQO1 P15559 1/20 0.43

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
SCHEMBL380656 0.90 CES1 (1.00) CES1MEN1ALDH1A1KMT2AHPGD
SCHEMBL64776 0.87 ALDH1A1 (0.82) CES1MEN1ALDH1A1KMT2AHPGD
SCHEMBL33372528 0.87 ALDH1A1 (0.82) CES1MEN1ALDH1A1KMT2AHPGD
SCHEMBL5716919 0.83 CES1 (0.79) CES1MEN1ALDH1A1KMT2AHPGD
SCHEMBL29460197 0.82 CES1 (0.83) CES1MEN1ALDH1A1KMT2AHPGD
Furan SCHEMBL3095660 0.81 CES1 (0.81) CES1MEN1ALDH1A1KMT2AHPGD
SCHEMBL893374 0.78 ALDH1A1 (1.00) CES1MEN1ALDH1A1KMT2AHPGD
SCHEMBL30702421 0.78 ALDH1A1 (1.00) CES1MEN1ALDH1A1KMT2AHPGD
SCHEMBL7213583 0.76 CES1 (0.72) CES1MEN1ALDH1A1KMT2AHPGD
SCHEMBL23043820 0.75 ALDH1A1 (0.69) CES1MEN1ALDH1A1KMT2AHPGD

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-11207247-B2 Low water-sensitive dental composition SHOFU INC. (JP) 2021-12-28 US disclosed
US-20210007938-A1 LOW WATER-SENSITIVE DENTAL COMPOSITION SHOFU INC. (JP) 2021-01-14 US disclosed
EP-3733151-A1 LOW-WATER-SENSITIVE DENTAL COMPOSITION Shofu Inc. (JP) 2020-11-04 EP 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-20210007938-A1 LOW WATER-SENSITIVE DENTAL COMPOSITION MGMT, DNMT3A, TAS2R1 CES1 3549/4885MEN1 2812/4885ALDH1A1 821/4885
US-11207247-B2 Low water-sensitive dental composition MGMT, DNMT3A, TAS2R1 CES1 3549/4885MEN1 2812/4885ALDH1A1 821/4885

“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.