SCHEMBL766524

SCHEMBL766524

C=C(C)C(=O)OCCCS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
THRB P10828 1/20 0.48
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.38
CA2 P00918 2/20 0.36
PLA2G2C Q5R387 1/20 0.31
FFAR1 O14842 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NAAA Q02083 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
SCHEMBL2936706 0.88 THRB (0.52) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22280824 0.86 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5872182 0.86 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18403041 0.86 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL14980 0.85 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22977907 0.83 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL444306 0.83 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL20970602 0.83 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL219271 0.83 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23607561 0.83 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4124331-A1 AESTHETIC DENTAL FILLING MATERIAL WITH HIGH CURING DEPTH Ivoclar Vivadent AG (LI) 2023-02-01 EP claimed
US-9851639-B2 Photoacid generating polymers containing a urethane linkage for lithography INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-12-26 US disclosed
US-9254255-B2 Dental care product with two-part formulations and utility thereof CHUNG-YUAN CHRISTIAN UNIVERSITY (TW) 2016-02-09 US disclosed
US-20150150781-A1 Dental Care Product with Two-part Formulations and Utility Thereof CHUNG-YUAN CHRISTIAN UNIVERSITY (TW) 2015-06-04 US disclosed
US-20130260313-A1 PHOTOACID GENERATING POLYMERS CONTAINING A URETHANE LINKAGE FOR LITHOGRAPHY CENTRAL GLASS CO., LTD. (JP) 2013-10-03 US disclosed
US-20120121687-A1 Wound healing material and method for fabricating the same CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2012-05-17 US disclosed
US-20120067821-A1 Filter Medium For Leukocyte Removal CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2012-03-22 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-20150150781-A1 Dental Care Product with Two-part Formulations and Utility Thereof KRTCAP2, DDOST, STT3B TSHR 3436/4885THRB 1422/4885POLB 123/4885
US-20120121687-A1 Wound healing material and method for fabricating the same FGB, FIBP, FLNA TSHR 4123/4885THRB 4683/4885POLB 2797/4885

“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.