SCHEMBL23202779

SCHEMBL23202779

CC=CC(=O)OCCCCOC(=O)c1ccccc1C(=O)OC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ ALDH1A1 P00352 7/20 0.52
▸ LMNA P02545 2/20 0.52
▸ TDP1 Q9NUW8 4/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ AKR1B10 O60218 3/20 0.40
▸ AKR1B1 P15121 3/20 0.40
▸ SCN1A P35498 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ SCN3A Q9NY46 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
SCHEMBL27237601 0.92 TSHR (0.63) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL20394539 0.89 TSHR (0.60) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL28190674 0.88 TSHR (0.55) TSHRCYP3A4MAPK1TP53ALDH1A1
Ammonia Solution, Strong SCHEMBL28190645 0.88 TSHR (0.55) TSHRCYP3A4MAPK1TP53ALDH1A1
Ammonia Solution, Strong SCHEMBL28190698 0.86 ALDH1A1 (0.56) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL28190566 0.86 ALDH1A1 (0.56) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL27008264 0.85 TSHR (0.61) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL9331315 0.83 TSHR (0.54) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL23202791 0.82 TSHR (0.45) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL23202735 0.81 TSHR (0.50) TSHRCYP3A4MAPK1TP53ALDH1A1

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-11602490-B2 One pack-type dental adhesive composition SHOFU INC. (JP) 2023-03-14 — — US disclosed
US-20210205181-A1 ONE PACK-TYPE DENTAL ADHESIVE COMPOSITION SHOFU INC. (JP) 2021-07-08 — — US disclosed
EP-3804688-A1 ONE PACK-TYPE DENTAL ADHESIVE COMPOSITION Shofu Inc. (JP) 2021-04-14 — — 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-20210205181-A1 ONE PACK-TYPE DENTAL ADHESIVE COMPOSITION ITGA1, TAS2R1, ITGB1 TSHR 4318/4885CYP3A4 4750/4885MAPK1 1042/4885
US-11602490-B2 One pack-type dental adhesive composition ITGA1, TAS2R1, ITGB1 TSHR 4318/4885CYP3A4 4750/4885MAPK1 1042/4885

“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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