SCHEMBL2779922

SCHEMBL2779922

C=C(C)C(=O)OCC(C)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TSHR P16473 3/20 0.49
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 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
SCHEMBL194452 0.89 ALDH1A1 (0.56) ALDH1A1TSHRALOX15KDM4ETDP1
SCHEMBL9615565 0.88 ALDH1A1 (0.45) ALDH1A1TSHRALOX15KDM4EPOLB
SCHEMBL17937933 0.86 ALDH1A1 (0.58) ALDH1A1TSHRSCN1ASCN2ASCN3A
SCHEMBL11045498 0.86 ALDH1A1 (0.44) ALDH1A1TSHRALOX15KDM4EPOLB
SCHEMBL4805290 0.85 ALDH1A1 (0.54) ALDH1A1TSHRSCN1ASCN2ASCN3A
SCHEMBL9615555 0.84 ALDH1A1 (0.45) ALDH1A1TSHRALOX15KDM4ETDP1
SCHEMBL3268987 0.84 ALDH1A1 (0.43) ALDH1A1TSHRALOX15KDM4EPOLB
SCHEMBL12789621 0.83 TSHR (0.42) ALDH1A1TSHRALOX15KDM4EPOLB
SCHEMBL3915386 0.83 TSHR (0.63) ALDH1A1TSHRKDM4EHTTTDP1
SCHEMBL12344500 0.83 ALDH1A1 (0.58) ALDH1A1TSHRSCN1ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3933748-A Anaerobic adhesive containing tetrahydroquinoline and benzosulfimide OKURA KOGYA KABUSHIKI KAISHA (JA) 1976-01-20 US claimed
EP-3782599-B1 DENTAL POLYMERIZABLE COMPOSITION BASED ON CONDENSED SILANES VOCO GMBH (DE) 2025-09-17 EP disclosed
US-11992538-B2 Polymerizable dental composition based on condensed silanes VOCO GMBH (DE) 2024-05-28 US disclosed
US-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES VOCO GMBH (DE) 2021-02-25 US disclosed
EP-3782599-A1 DENTAL POLYMERIZABLE COMPOSITION BASED ON CONDENSED SILANES VOCO GmbH (DE) 2021-02-24 EP disclosed
EP-3009122-A1 ARTIFICIAL NAIL REMOVAL METHOD, ARTIFICIAL NAIL COMPOSITION, ARTIFICIAL NAIL, ARTIFICIAL NAIL FORMING METHOD, AND NAIL ART KIT FUJIFILM Corporation (JP) 2016-04-20 EP disclosed
US-20160088919-A1 ARTIFICIAL NAIL REMOVAL METHOD, ARTIFICIAL NAIL COMPOSITION, ARTIFICIAL NAIL, ARTIFICIAL NAIL FORMING METHOD, AND NAIL ART KIT FUJIFILM CORPORATION (JP) 2016-03-31 US disclosed
US-7767381-B2 Photosensitive resin composition, and photosensitive film and stencil for screen printing using the photosensitive composition MURAKAMI CO., LTD. (JP) 2010-08-03 US disclosed
US-20090099275-A1 Photosensitive Resin Composition, and Photosensitive Film and Stencil for Screen Printing Using the Photosensitive Composition MURAKAMI CO., LTD. (JP) 2009-04-16 US disclosed
EP-2019128-A1 PHOTOSENSITIVE RESIN COMPOSITION AND PRODUCED THEREFROM, PHOTOSENSITIVE FILM AND STENCIL FOR SCREEN PRINTING Murakami Co., Ltd. (JP) 2009-01-28 EP disclosed
US-4048035-A UNSATURATED POLYESTER, MONOMER MITSUBISHI RAYON CO., LTD. (JA) 1977-09-13 US disclosed
US-3933748-A Anaerobic adhesive containing tetrahydroquinoline and benzosulfimide OKURA KOGYA KABUSHIKI KAISHA (JA) 1976-01-20 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 (3 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-11992538-B2 Polymerizable dental composition based on condensed silanes NCAPH, RCC1, NCAPD2 ALDH1A1 1481/4885TSHR 4596/4885SCN1A 1222/4885
US-20160088919-A1 ARTIFICIAL NAIL REMOVAL METHOD, ARTIFICIAL NAIL COMPOSITION, ARTIFICIAL NAIL, ARTIFICIAL NAIL FORMING METHOD, AND NAIL ART KIT PIK3C3, POLR1C, PRKDC ALDH1A1 1008/4885TSHR 1735/4885SCN1A 2579/4885
US-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES NCAPH, RCC1, NCAPD2 ALDH1A1 1481/4885TSHR 4596/4885SCN1A 1222/4885

“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.