SCHEMBL904490

SCHEMBL904490

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

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.55
GABBR1 Q9UBS5 1/20 0.55
LMNA P02545 3/20 0.54
KDM4E B2RXH2 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
BCAT2 O15382 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AOC3 Q16853 3/20 0.48
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CPA1 P15085 1/20 0.45

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
SCHEMBL186610 1.00 GABBR2 (0.55) GABBR2GABBR1LMNAKDM4EL3MBTL1
SCHEMBL904476 1.00 GABBR2 (0.55) GABBR2GABBR1LMNAKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL1374836 0.98 GABBR2 (0.53) GABBR2GABBR1LMNAKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL1373206 0.98 GABBR2 (0.53) GABBR2GABBR1LMNAKDM4EL3MBTL1
Ammonia Solution, Strong SCHEMBL2341560 0.98 GABBR2 (0.53) GABBR2GABBR1LMNAKDM4EL3MBTL1
Thiophene SCHEMBL27621795 0.88 GABBR2 (0.46) GABBR2GABBR1LMNAKDM4EL3MBTL1
SCHEMBL27694460 0.87 FFAR1 (0.57) GABBR2GABBR1LMNA
SCHEMBL9061130 0.86 LMNA (0.54) GABBR2GABBR1LMNAKDM4EL3MBTL1
SCHEMBL28580617 0.83 GABBR2 (0.48) GABBR2GABBR1LMNAKDM4EL3MBTL1
SCHEMBL5384514 0.83 KDM4E (0.50) GABBR2GABBR1LMNAKDM4EL3MBTL1

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116735758-B Method for detecting 55 organic acids and sugar alcohols in urine by gas chromatography-tandem mass spectrometry technology 北京凯莱谱生物科技有限公司 2024-01-30 CN claimed
CN-109232220-B Chemical resolution method of 3-hydroxy-3-phenylpropionic acid compound 上海健康医学院 2021-09-10 CN claimed
JP-3236785-A None JP disclosed
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 EP disclosed
US-12415835-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-09-16 US disclosed
US-20240166689-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-23 US disclosed
US-11891457-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-06 US disclosed
CN-117304130-A MCL-1 inhibitors 吉利德科学公司 2023-12-29 CN disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
CN-112118845-B MCL-1 inhibitors 吉利德科学公司 2023-06-13 CN disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0542300-B1 Method of preparing (S)-1-phenyl-1,3-propanediol or derivatives thereof AJINOMOTO KK (JP) 1997-02-26 EP disclosed
US-5393664-A Using a culture product AJINOMOTO CO. INC. (JP) 1995-02-28 US disclosed
EP-0494203-B1 SYNTHESIS OF ARYL ALKANEDIOLS HAVING HIGH OPTICAL PURITY EASTMAN KODAK CO (US) 1993-12-08 EP disclosed
EP-0542300-A2 Method of preparing (S)-1-phenyl-1,3-propanediol or derivatives thereof Ajinomoto Co., Inc. (JP) 1993-05-19 EP disclosed
JP-H03236785-A PRODUCTION OF OPTICALLY ACTIVE (S)-3-PHENYL-3-HYDROXYPROPIONIC ACID DERIVATIVE KANEGAFUCHI CHEM IND CO LTD 1991-10-22 JP disclosed
WO-1991004334-A1 SYNTHESIS OF ARYL ALKANEDIOLS HAVING HIGH OPTICAL PURITY EASTMAN KODAK COMPANY (US) 1991-04-04 WO disclosed
US-4921798-A Synthesis of (aryl or arylalkyl)-3-hydroxy propionic acids and aryl alkanediols having high optical purity EASTMAN KODAK COMPANY (US) 1990-05-01 US disclosed
US-4921798-A Synthesis of (aryl or arylalkyl)-3-hydroxy propionic acids and aryl alkanediols having high optical purity EASTMAN KODAK COMPANY (US) 1990-05-01 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 (5 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-11891457-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R GABBR2 2953/4885GABBR1 3660/4885LMNA 2193/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 GABBR2 4401/4885GABBR1 4544/4885LMNA 1458/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 GABBR2 4401/4885GABBR1 4544/4885LMNA 1458/4885
US-20240166689-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R GABBR2 2953/4885GABBR1 3660/4885LMNA 2193/4885
US-12415835-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R GABBR2 2953/4885GABBR1 3660/4885LMNA 2193/4885

“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.