SCHEMBL551105

SCHEMBL551105

COc1cc2c(OC)cccc2cc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
KDM4E B2RXH2 4/20 1.00
HPGD P15428 3/20 1.00
HSD17B10 Q99714 1/20 1.00
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CA3 P07451 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
PDE10A Q9Y233 1/20 0.49
GRIN2D O15399 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 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
SCHEMBL29353299 1.00 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL8126323 0.93 ALDH1A1 (0.88) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL29450082 0.92 ALDH1A1 (0.84) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL164671 0.92 ALDH1A1 (0.84) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL8107680 0.90 KDM4E (0.81) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL29620158 0.87 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL8206713 0.87 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL8207252 0.87 KDM4E (0.77) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL400926 0.87 KDM4E (0.77) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL30660791 0.85 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDHSD17B10LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN claimed
CN-1199396-A Novel azepanes and their ring homologues for therapy and prophylaxis of protein kinase mediated diseases HOFFMANN LA ROCHE (CH) 1998-11-18 CN claimed
EP-0836592-A1 AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1998-04-22 EP claimed
WO-1997002249-A1 NOVEL AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1997-01-23 WO claimed
US-20240092737-A1 SUBSTITUTED SALICYLAMIDE COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2024-03-21 US disclosed
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 US disclosed
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 US disclosed
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 US disclosed
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN disclosed
CN-116367832-A Substituted heteroaryl compounds and uses thereof 苏州华明道康生物医药有限公司 2023-06-30 CN disclosed
US-11561471-B2 Photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-01-24 US disclosed
WO-2022148457-A1 SUBSTITUTED SALICYLAMIDE COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2022-07-14 WO disclosed
US-5907038-A PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1999-05-25 US disclosed
EP-0836592-A1 AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1998-04-22 EP disclosed
WO-1997002249-A1 NOVEL AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1997-01-23 WO disclosed
EP-0492178-B1 Naphthoic acid derivative FUJIREBIO KK (JP) 1995-10-04 EP disclosed
US-5324728-A Lipoxygenase inhibiting antiallergens FUJIREBIO INC. (JP) 1994-06-28 US disclosed
EP-0492178-A2 Naphthoic acid derivative FUJIREBIO INC. (JP) 1992-07-01 EP disclosed
EP-0142235-A1 Naphthalenylimidazopyridine and derivatives and their preparation ELI LILLY AND COMPANY (US) 1985-05-22 EP disclosed
US-4515796-A INOTROPIC, BRONCHODILATOR, VASODILATORS, ANTICOAGULANTS ELI LILLY AND COMPANY (US) 1985-05-07 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 (2 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-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF SSB, BTK, PADI6 ALDH1A1 1123/4885KDM4E 2480/4885HPGD 2296/4885
US-20240092737-A1 SUBSTITUTED SALICYLAMIDE COMPOUNDS AND USE THEREOF SYMPK, SLC10A2, SLC10A1 ALDH1A1 274/4885KDM4E 4276/4885HPGD 74/4885

“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.