SCHEMBL590641

SCHEMBL590641

OB(O)c1ccccc1-c1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP2A6 P11509 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DHFR P00374 1/20 0.39
MAPT P10636 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
PTPN1 P18031 1/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL29410295 1.00 ALDH1A1 (0.41) ALDH1A1CYP2A6CYP1A2ALOX5KDM4E
SCHEMBL30390526 1.00 ALDH1A1 (0.41) ALDH1A1CYP2A6CYP1A2ALOX5KDM4E
SCHEMBL29634684 0.92 ALDH1A1 (0.41) ALDH1A1CYP2A6CYP1A2ALOX5KDM4E
SCHEMBL26813563 0.86 AKR1C3 (0.41) ALDH1A1CYP2A6CYP1A2ALOX5KDM4E
SCHEMBL29952492 0.86 AKR1C3 (0.41) ALDH1A1CYP2A6CYP1A2ALOX5KDM4E
Boric Acid SCHEMBL28565435 0.84 CYP1A2 (0.50) ALDH1A1CYP2A6CYP1A2ALOX5KDM4E
SCHEMBL29391558 0.82 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP1A2HPGDTSHR
SCHEMBL24488 0.82 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP1A2HPGDTSHR
SCHEMBL5601608 0.82 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP1A2HPGDTSHR
SCHEMBL910658 0.82 ENPP2 (0.50) MAPTENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115959993-A Synthetic method of 2-aryl propionic acid compound 山东中医药大学 2023-04-14 CN claimed
CN-110376320-B Method for full-automatic series solid-phase extraction of brassinosteroids in plants 中国科学院大连化学物理研究所 2021-04-27 CN claimed
CN-115959993-B Synthesis method of 2-aryl propionic acid compound 山东中医药大学 2025-01-07 CN disclosed
CN-117720447-A Method for synthesizing 1,3-N, S compound by rhodium catalysis 华南理工大学 2024-03-19 CN disclosed
US-20240090327-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-03-14 US disclosed
US-11891361-B2 Heterocyclic compound and organic light emitting device comprising same LT MATERIALS CO., LTD. (KR) 2024-02-06 US disclosed
CN-117225436-A CdS/Bi/Ti 3 C 2 T X Photocatalyst, preparation method and application thereof 华南理工大学 2023-12-15 CN disclosed
CN-114733566-B Chiral super-strong carbonic acid catalyst based on BINOL framework and preparation method and application thereof 上海师范大学 2023-10-31 CN disclosed
US-20230242484-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-03 US disclosed
US-20230242484-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-03 US disclosed
EP-4200294-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2023-06-28 EP disclosed
US-20110095273-A1 DEUTERATED COMPOUNDS FOR LUMINESCENT APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-04-28 US disclosed
WO-2011040939-A1 DEUTERATED COMPOUNDS FOR LUMINESCENT APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-04-07 WO disclosed
US-20110049477-A1 ELECTROACTIVE MATERIALS E I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-03 US disclosed
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2010038956-A2 NOVEL AROMATIC DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME DAEJOO ELECTRONIC MATERIALS CO., LTD. (KR) 2010-04-08 WO disclosed
EP-1848428-A2 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-10-31 EP disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed
WO-2006089076-A2 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2006-08-24 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 (6 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-20110049477-A1 ELECTROACTIVE MATERIALS KCNN4, KCNN3, HCN3 ALDH1A1 3655/4885CYP2A6 3599/4885CYP1A2 2602/4885
US-11891361-B2 Heterocyclic compound and organic light emitting device comprising same CRY1, CYP1A1, CYP1B1 ALDH1A1 8/4885CYP2A6 80/4885CYP1A2 5/4885
US-20230242484-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS USING SAME MNS1, NSFL1C, NCF1 ALDH1A1 1218/4885CYP2A6 3607/4885CYP1A2 2610/4885
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 ALDH1A1 916/4885CYP2A6 2065/4885CYP1A2 1326/4885
US-20110095273-A1 DEUTERATED COMPOUNDS FOR LUMINESCENT APPLICATIONS HDHD5, DDT, DLD ALDH1A1 1218/4885CYP2A6 2214/4885CYP1A2 2400/4885
US-20240090327-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM ALDH1A1 489/4885CYP2A6 2640/4885CYP1A2 1425/4885

“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.