SCHEMBL8076205

SCHEMBL8076205

O=C(C[C@@H](O)C(=O)O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
KMO O15229 1/20 0.58
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 3/20 0.54
MAPK1 P28482 2/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
CES1 P23141 1/20 0.54
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
GSK3B P49841 2/20 0.50
NPC1 O15118 1/20 0.50
TRPA1 O75762 1/20 0.50
HIF1A Q16665 1/20 0.50
PTPN1 P18031 1/20 0.50

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
SCHEMBL4967701 1.00 TSHR (0.67) TSHRKMOKMT2AMEN1MAPT
SCHEMBL6276435 1.00 TSHR (0.67) TSHRKMOKMT2AMEN1MAPT
SCHEMBL5313340 0.82 TSHR (0.72) TSHRKMT2AMEN1MAPTMAPK1
SCHEMBL1606582 0.82 TSHR (0.65) TSHRKMT2AMEN1MAPTMAPK1
SCHEMBL14889161 0.82 KMO (0.67) KMOKMT2AMAPTGSK3BL3MBTL1
SCHEMBL9420250 0.82 KMO (0.57) TSHRKMOMAPTSMN1; SMN2KDM4E
SCHEMBL8223279 0.82 KMO (0.57) TSHRKMOKMT2AMEN1KDM4E
SCHEMBL10782076 0.82 ALDH1A1 (0.58) TSHRKMOKMT2AMEN1MAPT
SCHEMBL1548812 0.82 KMO (0.67) KMOKMT2AMAPTGSK3BL3MBTL1
SCHEMBL728409 0.81 KMO (0.66) TSHRKMOKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1295555-A Process for preparation of HPB esters CIBA SC HOLDING AG (CH) 2001-05-16 CN claimed
EP-4313986-A1 PROCESSES FOR MAKING BICYCLIC KETONE COMPOUNDS Genentech, Inc. (US) 2024-02-07 EP disclosed
US-20240034739-A1 PROCESSES FOR MAKING BICYCLIC KETONE COMPOUNDS GENENTECH, INC. (US) 2024-02-01 US disclosed
CN-117098762-A Process for preparing bicyclic ketone compounds 基因泰克公司 2023-11-21 CN disclosed
CN-102586349-B Preparation method of ethyl (R)-2-hydroxyl-4-phenylbutyrate by combining microbe reduction and chemical catalytic hydrogenation UNIV CHONGQING POSTS & TELECOM 2014-12-03 CN disclosed
CN-101462947-B Preparation of (R) -4-phenyl-2-hydroxybutyrate SHANGHAI BAIDING PHARMACEUTICAL TECHNOLOGY CO LTD 2012-07-25 CN disclosed
CN-102586349-A Preparation method of ethyl (R)-2-hydroxyl-4-phenylbutyrate by combining microbe reduction and chemical catalytic hydrogenation UNIV CHONGQING POSTS & TELECOM 2012-07-18 CN disclosed
CN-101462947-A Preparation of (R) -4-phenyl-2-hydroxybutyrate SHANGHAI BAIDING PHARMACEUTICA (CN) 2009-06-24 CN disclosed
CN-1370767-A Synthesis of optically pure R-and S-2-hydroxyl-4-aryl butyric acid CHENGDU ORGANIC CHEM INST (CN) 2002-09-25 CN disclosed
CN-1295555-A Process for preparation of HPB esters CIBA SC HOLDING AG (CH) 2001-05-16 CN disclosed
EP-0620857-B1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS GENZYME LTD (GB) 2000-08-02 EP disclosed
US-5686275-A LACTATE DEHYDROGENASE GENZYME LTD. (GB) 1997-11-11 US disclosed
EP-0620857-A1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS Genzyme Limited (GB) 1994-10-26 EP disclosed
WO-1993013215-A1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS GENZYME LIMITED (GB) 1993-07-08 WO 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-20240034739-A1 PROCESSES FOR MAKING BICYCLIC KETONE COMPOUNDS HSD17B7, BCKDK, CYP11B1 TSHR 2458/4885KMO 90/4885KMT2A 1607/4885

“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.