SCHEMBL691429

SCHEMBL691429

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.56
CA12 O43570 1/20 0.43
AKR1B10 O60218 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
AKR1B1 P15121 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TSHR P16473 3/20 0.39
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL691430 1.00 HCAR2 (0.56) HCAR2CA12AKR1B10CA1CA2
SCHEMBL27110712 1.00 HCAR2 (0.56) HCAR2CA12AKR1B10CA1CA2
SCHEMBL29237067 0.83 HCAR2 (0.57) HCAR2CA12AKR1B10CA1CA2
SCHEMBL30969581 0.83 HCAR2 (0.57) HCAR2CA12AKR1B10CA1CA2
SCHEMBL1882129 0.83 HCAR2 (0.38) HCAR2CA12AKR1B10CA1CA2
SCHEMBL28414984 0.82 HCAR2 (0.56) HCAR2CA12AKR1B10CA1CA2
Butane SCHEMBL15751306 0.81 HCAR2 (0.67) HCAR2CA12AKR1B10CA1CA2
SCHEMBL8118802 0.80 HCAR2 (0.54) HCAR2CA12AKR1B10CA1CA2
SCHEMBL27731569 0.80 HCAR2 (0.54) HCAR2CA12AKR1B10CA1CA2
SCHEMBL4449228 0.80 HCAR2 (0.54) HCAR2CA12AKR1B10CA1CA2

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
CN-119214288-A Fruit-flavored essence and preparation method thereof 广州昆特臣香精香料科技有限公司 2024-12-31 CN claimed
CN-119214288-A Fruit-flavored essence and preparation method thereof 广州昆特臣香精香料科技有限公司 2024-12-31 CN disclosed
EP-2268614-B1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS SHOWA DENKO KK (JP) 2013-05-15 EP disclosed
US-8258340-B2 Method for producing β-mercapto carboxylic acids SHOWA DENKO K.K. (JP) 2012-09-04 US disclosed
EP-2205557-B1 METHOD FOR PRODUCING BETA-MERCAPTOCARBOXYLIC ACIDS SHOWA DENKO KK (JP) 2012-02-29 EP disclosed
US-20110015436-A1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS SHOWA DENKO K.K. (JP) 2011-01-20 US disclosed
US-20110004017-A1 METHOD FOR PRODUCING B-MERCAPTOCARBOXYLIC ACIDS SHOWA DENKO K.K. (JP) 2011-01-06 US disclosed
EP-2268614-A1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS Showa Denko K.K. (JP) 2011-01-05 EP disclosed
EP-2205557-A2 METHOD FOR PRODUCING BETA-MERCAPTOCARBOXYLIC ACIDS Showa Denko K.K. (JP) 2010-07-14 EP disclosed
WO-2009113711-A1 METHOD FOR PRODUCING -MERCAPTO CARBOXYLIC ACIDS SHOWA DENKO K.K. (JP) 2009-09-17 WO disclosed
WO-2009038232-A2 METHOD FOR PRODUCING BETA-MERCAPTOCARBOXYLIC ACIDS SHOWA DENKO K.K. (JP) 2009-03-26 WO disclosed
US-4845269-A Preparation of 3-pentenoates from 2-pentenoates BASF AKTIENGESELLSCHAFT (DE) 1989-07-04 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 (1 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-20110015436-A1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS CBS, ALDH7A1, CBR1 HCAR2 174/4885CA12 741/4885AKR1B10 90/4885

“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.