SCHEMBL6911963

SCHEMBL6911963

C[C@H](O)c1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
TP53 P04637 1/20 0.57
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 1/20 0.52
SRD5A2 P31213 3/20 0.50
ANPEP P15144 1/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
TYR P14679 1/20 0.48
DRD1 P21728 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48

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
SCHEMBL891852 1.00 TSHR (0.57) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6912492 1.00 TSHR (0.57) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL9330598 0.94 RXRA (0.56) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
Terephthalic Acid SCHEMBL4243136 0.85 TSHR (0.71) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
Terephthalic Acid SCHEMBL338413 0.85 TSHR (0.71) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
Terephthalic Acid SCHEMBL28509987 0.85 TSHR (0.71) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL18039464 0.84 RXRA (0.47) SRD5A2CA1CA2CA12CA9
SCHEMBL372015 0.83 TSHR (0.60) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL31192242 0.83 TSHR (0.60) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL28847652 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2SRD5A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109134410-A The synthetic method of fluoro- 3- methyl isobenzofuran -1 (3H) -one of 5- 沈阳药科大学 2019-01-04 CN claimed
WO-2024123929-A1 DEVELOPMENT OF POTENT DUAL HDAC/BRD4 INHIBITORS BIOVENTURES, LLC (US) 2024-06-13 WO disclosed
US-20230391812-A1 RUTHENIUM COMPLEX, PRODUCTION METHOD OF THE COMPLEX, AND PRODUCTION METHOD OF OPTICALLY ACTIVE SECONDARY ALCOHOLS USING THE COMPLEX AS CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-12-07 US disclosed
EP-4230603-A1 RUTHENIUM COMPLEX, METHOD FOR PRODUCING SAID COMPLEX, AND METHOD FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL USING SAID COMPLEX AS CATALYST Takasago International Corporation (JP) 2023-08-23 EP disclosed
CN-116323522-A Ruthenium complex, process for producing the same, and process for producing optically active secondary alcohol using the same as catalyst 高砂香料工业株式会社 2023-06-23 CN disclosed
CN-109134410-A The synthetic method of fluoro- 3- methyl isobenzofuran -1 (3H) -one of 5- 沈阳药科大学 2019-01-04 CN disclosed
WO-2011073487-A1 PROCEDURE FOR THE ENANTIOSELECTIVE ADDITION OF ORGANOZINC COMPOUNDS TO COMPOUNDS DERIVED FROM ACETOPHENONES UNIVERSIDAD DE VALLADOLID (ES) 2011-06-23 WO disclosed
US-6720439-B1 EFFICIENT REDUCTION OF BASE SENSITIVE CARBONYL COMPOUNDS; SEPARATING RACEMIC CARBONYL COMPOUNDS; CHIRAL CATALYSTS NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2004-04-13 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-20230391812-A1 RUTHENIUM COMPLEX, PRODUCTION METHOD OF THE COMPLEX, AND PRODUCTION METHOD OF OPTICALLY ACTIVE SECONDARY ALCOHOLS USING THE COMPLEX AS CATALYST ADH5, ADH1A, ADH1C TSHR 1898/4885TP53 4303/4885ALDH1A1 106/4885

“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.