SCHEMBL1265099

SCHEMBL1265099

C=CC(=O)OCCCCc1cc(C(=O)O)cc(C(=O)O)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 1/20 0.45
THRB P10828 3/20 0.40
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 2/20 0.35
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCD Q05655 1/20 0.32
THRA P10827 1/20 0.32
PLA2G2A P14555 1/20 0.31
PTPN11 Q06124 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL5175653 0.91 THRB (0.42) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL5571975 0.84 PLA2G2A (0.33) ALDH1A1HTTPLA2G2AL3MBTL1PPARG
SCHEMBL9547571 0.82 ALDH1A1 (0.38) ALDH1A1HSD17B10PTPN11PPARGPPARA
SCHEMBL1020562 0.81 HTT (0.51) TSHRALDH1A1THRBHTTPRKCG
SCHEMBL29507099 0.81 THRB (0.47) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9547579 0.80 F13A1 (0.39) ALDH1A1PTPN11PPARGPPARA
SCHEMBL9547648 0.80 F13A1 (0.39) ALDH1A1PTPN11PPARGPPARA
SCHEMBL11899588 0.80 F13A1 (0.39) ALDH1A1PTPN11PPARGPPARA
SCHEMBL11899221 0.80 F13A1 (0.39) ALDH1A1PTPN11PPARGPPARA
SCHEMBL9547634 0.80 F13A1 (0.39) ALDH1A1PTPN11PPARGPPARA

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 8 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
US-8183306-B2 Two-paste type dental self-adhesive resin cement KABUSHIKI KAISHA SHOFU (JP) 2012-05-22 US disclosed
US-7879924-B2 Dental composite resin cement, dental primer and dental adhesive kit containing them KABUSHIKI KAISHA SHOFU (JP) 2011-02-01 US disclosed
US-20100010115-A1 Two-paste type dental self-adhesive resin cement KABUSHIKI KAISHA SHOFU (JP) 2010-01-14 US disclosed
US-20090048366-A1 Dental Composite Resin Cement, Dental Primer and Dental Adhesive Kit Containing Them KABUSHIKI KAISHA SHOFU (JP) 2009-02-19 US disclosed
US-5264513-A Dental adhesive KABUSHIKI KAISHA SHOFU (JP) 1993-11-23 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 (4 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-20090048366-A1 Dental Composite Resin Cement, Dental Primer and Dental Adhesive Kit Containing Them CDH1, JMJD7, WDR91 TSHR 4536/4885ALDH1A1 627/4885CYP3A4 4752/4885
US-20210007938-A1 LOW WATER-SENSITIVE DENTAL COMPOSITION MGMT, DNMT3A, TAS2R1 TSHR 3563/4885ALDH1A1 821/4885CYP3A4 3926/4885
US-11207247-B2 Low water-sensitive dental composition MGMT, DNMT3A, TAS2R1 TSHR 3563/4885ALDH1A1 821/4885CYP3A4 3926/4885
US-20100010115-A1 Two-paste type dental self-adhesive resin cement CDH1, PTK2, CAD TSHR 4807/4885ALDH1A1 656/4885CYP3A4 4363/4885

“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.