SCHEMBL2961858

SCHEMBL2961858

C=CC(C)(C)OC(=O)CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL2961856 0.89 MGAM (0.33) TSHRGAA
SCHEMBL8150779 0.83 GAA (0.44) GAA
SCHEMBL11055489 0.82 MGAM (0.43) GAA
SCHEMBL5360455 0.82 EGLN1 (0.41) HSD17B10TSHRMEN1KMT2A
SCHEMBL11324374 0.80 HMGCR (0.32) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL11325379 0.80 GAA (0.36) GAA
SCHEMBL27621484 0.79 TSHR (0.44) ALOX15HSD17B10TSHRMEN1KMT2A
SCHEMBL4672677 0.78 L3MBTL1 (0.30)
SCHEMBL14087276 0.78 ALDH1A1 (0.37) TSHR
SCHEMBL9808504 0.77 ABCC4 (0.46) ALOX15HSD17B10TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
CN-112321475-B Gamma-amino acid analogue and synthetic method thereof 四川大学 2022-06-10 CN disclosed
EP-2617711-A1 Amino alcohol derivatives, salts thereof and immunosuppressive agents Kyorin Pharmaceutical Co., Ltd. (JP) 2013-07-24 EP disclosed
CN-102964556-A Isocyanate-epoxy formulations for improved cure control DOW GLOBAL TECHNOLOGIES INC 2013-03-13 CN disclosed
US-7763752-B2 Amino alcohol derivatives, salts thereof and immunosuppresive agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
CN-101711262-A Isocyanate-epoxy formulations for improved cure control DOW GLOBAL TECHNOLOGIES INC 2010-05-19 CN disclosed
US-20090156653-A1 Amino alcohol derivatives, salts thereof and immunosuppresive agents KOHNO YASUSHI 2009-06-18 US disclosed
US-7482491-B2 Amino alcohol derivative, addition salt thereof, and immunosuppressant KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-01-27 US disclosed
US-7439380-B2 Diarylbutadiene-substituted diorganopolysiloxanes and photoprotective compositions comprised thereof L'OREAL (FR) 2008-10-21 US disclosed
US-20070213548-A1 Diarylbutadiene-substituted diorganopolysiloxanes and photoprotective compositions comprised thereof L'OREAL 2007-09-13 US disclosed
US-7229610-B2 Diarylbutadiene-substituted diorganopolysiloxanes and photoprotective compositions comprised thereof L'OREAL (FR) 2007-06-12 US disclosed
US-20060135622-A1 Amino alcohol derivative, addition salt thereof, and immunosuppressant KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 US disclosed
CN-1758927-A Polymer compositions with bioactive silver, copper or zinc compounds, medical articles, and processes 3M INNOVATIVE PROPERTIES CO (US) 2006-04-12 CN disclosed
EP-1548003-A1 AMINO ALCOHOL DERIVATIVE, ADDITION SALT THEREOF, AND IMMUNOSUPPRESSANT Kyorin Pharmaceutical Co., Ltd. (JP) 2005-06-29 EP disclosed
US-20050129636-A1 Diarylbutadiene-substituted diorganopolysiloxanes and photoprotective compositions comprised thereof L'OREAL (FR) 2005-06-16 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-20070213548-A1 Diarylbutadiene-substituted diorganopolysiloxanes and photoprotective compositions comprised thereof XPA, ERCC4, DCLRE1A ALOX15 2027/4885HSD17B10 1256/4885LDHA 1631/4885
US-20050129636-A1 Diarylbutadiene-substituted diorganopolysiloxanes and photoprotective compositions comprised thereof XPA, ERCC4, DCLRE1A ALOX15 2027/4885HSD17B10 1256/4885LDHA 1631/4885
US-20060135622-A1 Amino alcohol derivative, addition salt thereof, and immunosuppressant AADAT, BCAT2, ADH1A ALOX15 1122/4885HSD17B10 1027/4885LDHA 1736/4885
US-20090156653-A1 Amino alcohol derivatives, salts thereof and immunosuppresive agents ADH1A, TPMT, AADAT ALOX15 1492/4885HSD17B10 1758/4885LDHA 1425/4885

“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.