SCHEMBL1730149

SCHEMBL1730149

C=C(C)C(=O)OC(Cc1cc(C)ccc1C)OC(=O)C(=C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
TAAR1 Q96RJ0 1/20 0.38
NR3C1 P04150 1/20 0.37
NR3C2 P08235 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4A O75164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28186633 0.88 MEN1 (0.39) MEN1KMT2ATAAR1NR3C1NR3C2
SCHEMBL15219220 0.78 MEN1 (0.54) MEN1KMT2ATAAR1ALDH1A1KDM4E
SCHEMBL10592275 0.72 EPHX2 (0.33) KMT2AALDH1A1MAPTNPSR1CYP1A2
SCHEMBL4884127 0.70 TSHR (0.47) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL27695947 0.70 LMNA (0.39) KMT2AALDH1A1KDM4EMAPTCYP1A2
SCHEMBL13962722 0.70 KMT2A (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL24899418 0.69 MEN1 (0.45) MEN1KMT2ATAAR1NR3C1NR3C2
SCHEMBL17301179 0.69 MEN1 (0.45) MEN1KMT2ATAAR1NR3C1NR3C2
SCHEMBL14648204 0.68 STAT3 (0.41) ALDH1A1SMN1; SMN2TSHRTDP1LMNA
SCHEMBL5288482 0.68 USP2 (0.50) MEN1KMT2ATAAR1ALDH1A1KDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112135598-B Macromer-based photocurable dental impression material 登士柏希罗纳有限公司 2023-12-22 CN disclosed
CN-114072122-B Redox curable dental compositions 登士柏德特里有限公司 2023-11-03 CN disclosed
CN-112672716-B Additive manufacturing method 登士柏德特里有限公司 2022-12-20 CN disclosed
CN-115401909-A Additive manufacturing method 登士柏德特里有限公司 2022-11-29 CN disclosed
US-11116702-B2 Dental composition DENTSPLY SIRONA INC. (US) 2021-09-14 US disclosed
US-20200022884-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2020-01-23 US disclosed
EP-3554457-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2019-10-23 EP disclosed
WO-2018108948-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2018-06-21 WO disclosed
EP-3335689-A1 DENTAL COMPOSITION DENTSPLY DETREY GmbH (DE) 2018-06-20 EP disclosed
EP-1501466-B1 ORTHODONTIC ADHESIVES 3M INNOVATIVE PROPERTIES CO (US) 2011-11-30 EP disclosed
US-7217124-B2 Orthodontic brackets including one part of an at least two-part adhesive on the base of the bracket 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-15 US disclosed
US-6960079-B2 Orthodontic adhesives and appliances including an adhesive on the base of the appliance 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-11-01 US disclosed
EP-1501466-A1 ORTHOSONTIC ADHESIVES 3M Innovative Properties Company (US) 2005-02-02 EP disclosed
EP-1494609-A1 ORTHODONTIC BRACKET WITH TWO-PART ADHESIVE 3M Innovative Properties Company (US) 2005-01-12 EP disclosed
WO-2003088861-A1 ORTHODONTIC BRACKET WITH TWO-PART ADHESIVE 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-10-30 WO disclosed
WO-2003088928-A1 ORTHOSONTIC ADHESIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-10-30 WO disclosed
US-20030198914-A1 Orthodontic adhesives and appliances including an adhesive on the base of the appliance 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-10-23 US disclosed
US-20030198913-A1 Orthodontic brackets including one part of an at least two-part adhesive on the base of the bracket 3M INNOVATIVE PROPERTIES COMPANY 2003-10-23 US disclosed
EP-0873106-B1 USE OF METALLOFLUOROCOMPLEXES FOR DENTAL COMPOSITIONS MINNESOTA MINING & MFG (US) 2003-05-02 EP disclosed
US-6403671-B1 DENTISTRY ESPE DENTAL AG (DE) 2002-06-11 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-11116702-B2 Dental composition MTR, CAD, PAM MEN1 4443/4885KMT2A 890/4885TAAR1 2069/4885
US-20200022884-A1 DENTAL COMPOSITION MTR, CAD, PAM MEN1 4443/4885KMT2A 890/4885TAAR1 2069/4885

“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.