SCHEMBL29364830

SCHEMBL29364830

Nc1ccc2ccccc2c1-c1c(O)ccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN22 Q9Y2R2 1/20 0.52
▸ HDAC3 O15379 1/20 0.52
▸ IDO1 P14902 1/20 0.52
▸ EP300 Q09472 1/20 0.52
▸ KAT2B Q92831 1/20 0.52
▸ KAT8 Q9H7Z6 1/20 0.52
▸ NCOR2 Q9Y618 1/20 0.52
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ PABPC1 P11940 1/20 0.47
▸ CSNK1A1 P48729 1/20 0.47
▸ CSNK1D P48730 1/20 0.47
▸ BLM P54132 1/20 0.47

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
SCHEMBL2068058 1.00 PTPN22 (0.52) PTPN22HDAC3IDO1EP300KAT2B
SCHEMBL29362162 0.87 PTPN22 (0.65) PTPN22IDO1MAPTALDH1A1KDM4E
SCHEMBL29418178 0.87 ALDH1A1 (0.56) PTPN22HDAC3IDO1EP300KAT2B
SCHEMBL15400598 0.87 PTPN22 (0.65) PTPN22IDO1MAPTALDH1A1KDM4E
SCHEMBL455943 0.87 ALDH1A1 (0.56) PTPN22HDAC3IDO1EP300KAT2B
SCHEMBL29027 0.87 PTPN22 (0.65) PTPN22IDO1MAPTALDH1A1KDM4E
SCHEMBL28432478 0.87 THRB (0.45) PTPN22HDAC3IDO1EP300KAT2B
SCHEMBL30267558 0.87 THRB (0.45) PTPN22HDAC3IDO1EP300KAT2B
SCHEMBL30267536 0.86 ESR2 (0.52) PTPN22HDAC3IDO1EP300KAT2B
SCHEMBL28425968 0.86 ESR2 (0.52) PTPN22HDAC3IDO1EP300KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535329-B Synthetic method of NOBIN-type axial chiral biaryl compound and compound thereof 湖南师范大学 2024-09-17 — — CN claimed
CN-117946169-A Axis chiral binaphthyl phosphite skeleton tridentate P, N, N-ligand, preparation method and application thereof 中国科学院大连化学物理研究所 2024-04-30 — — CN claimed
CN-116536430-A SNP molecular marker related to fear behaviors and/or separation anxiety behaviors of dogs and application thereof 云南大学 2023-08-04 — — CN claimed
CN-116535329-A Synthetic method of NOBIN-type axial chiral biaryl compound and compound thereof 湖南师范大学 2023-08-04 — — CN claimed
CN-110551036-B Iridium/chiral phosphite ester-pyridine catalyzed imine asymmetric hydrogenation method 中国科学院大连化学物理研究所 2022-04-12 — — CN claimed
CN-112920072-B NOBIN biaryl compound and synthetic method thereof 山东大学 2022-03-15 — — CN claimed
US-20250229262-A1 CHIRAL SPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF SPHENOTECH CO., LIMITED (CN) 2025-07-17 — — US disclosed
WO-2025094700-A1 TRIFLUOROMETHANESULFONATING AGENT COMPOSITION AND METHOD FOR PRODUCING TRIFLUOROMETHANESULFONYLOXY COMPOUND 学校法人神戸薬科大学 2025-05-08 — — WO disclosed
CN-119775170-A Preparation method of sabatier starter intermediate 浙江工业大学 2025-04-08 — — CN disclosed
CN-119059883-A Method for copper-catalyzed dynamic racemization of chiral biaryl compound of chiral quaternary ammonium salt co-crystallization induced shaft 复旦大学 2024-12-03 — — CN disclosed
CN-116535329-B Synthetic method of NOBIN-type axial chiral biaryl compound and compound thereof 湖南师范大学 2024-09-17 — — CN disclosed
CN-116535329-B Synthetic method of NOBIN-type axial chiral biaryl compound and compound thereof 湖南师范大学 2024-09-17 — — CN disclosed
CN-116535329-B Synthetic method of NOBIN-type axial chiral biaryl compound and compound thereof 湖南师范大学 2024-09-17 — — CN disclosed
WO-2022101627-A1 METHOD OF SYNTHESIS UNIVERSITY OF DURHAM (GB) 2022-05-19 — — WO disclosed
CN-112961037-B Method for resolving racemic chiral compound by molecular distillation method 浙江工业大学 2022-05-17 — — CN disclosed
CN-110551036-B Iridium/chiral phosphite ester-pyridine catalyzed imine asymmetric hydrogenation method 中国科学院大连化学物理研究所 2022-04-12 — — CN disclosed
CN-112920072-B NOBIN biaryl compound and synthetic method thereof 山东大学 2022-03-15 — — CN disclosed
CN-112920072-B NOBIN biaryl compound and synthetic method thereof 山东大学 2022-03-15 — — CN disclosed
CN-112920072-B NOBIN biaryl compound and synthetic method thereof 山东大学 2022-03-15 — — CN disclosed
CN-111233932-B Chiral phosphoric acid with spiro indane skeleton and preparation method and application thereof 南方科技大学 2022-01-28 — — CN 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-20250229262-A1 CHIRAL SPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF PKD1, PKD2, SYMPK PTPN22 1502/4885HDAC3 3120/4885IDO1 541/4885

“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.

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