SCHEMBL826486

SCHEMBL826486

COC(=O)c1cccc2occc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
CYP1A1 P04798 2/20 0.45
CYP1B1 Q16678 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CFTR P13569 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
PSMD14 O00487 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
ABCB1 P08183 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
TOP2A P11388 2/20 0.40

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
SCHEMBL11921724 0.82 MAOB (0.57) TSHRCYP1A2ALDH1A1HSD17B10KDM4E
SCHEMBL30184432 0.82 CYP1A1 (0.42) CYP1A1CYP1B1CYP1A2POLBABCB1
SCHEMBL827785 0.80 MAOB (0.42) TSHRCYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL1380870 0.79 PLK1 (0.54) CYP1A1CYP1B1CYP1A2POLBHPGD
SCHEMBL269277 0.78 MAOB (0.49) TSHRCYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL2047943 0.78 CYP1A1 (0.47) LMNATSHRCYP1A1CYP1B1CYP1A2
SCHEMBL6682006 0.78 CYP1A1 (0.39) TSHRCYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL72202 0.77 MAOB (0.55) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL70429 0.77 LMNA (0.59) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL15842329 0.77 CYP2A6 (0.57) LMNATSHRALDH1A1CFTRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109069514-B Antibacterial compound and application thereof 结核病药物开发全球联盟公司 2023-12-29 CN disclosed
EP-4194451-A1 COMPLEMENT FACTOR B INHIBITOR, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2023-06-14 EP disclosed
EP-4148053-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF The Global Alliance for TB Drug Development, Inc. (US) 2023-03-15 EP disclosed
EP-3426255-B1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2022-11-30 EP disclosed
US-10981891-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-20 US disclosed
US-10981891-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-20 US disclosed
US-20200039955-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2020-02-06 US disclosed
US-20200039955-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2020-02-06 US disclosed
US-10508097-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2019-12-17 US disclosed
US-10508097-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2019-12-17 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP disclosed
US-20040198980-A1 Selective rxr ligands SMITHKLINE BEECHAM CORPORATION 2004-10-07 US disclosed
EP-1430042-A2 BICYCLIC HETEROCYCLES AS RXR LIGANDS SmithKline Beecham Corporation (US) 2004-06-23 EP disclosed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 US disclosed
EP-1326860-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003047585-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003027090-A2 BICYCLIC HETEROCYCLES AS RXR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-03 WO disclosed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 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-20040044015-A1 Quinazoline derivatives NQO2, NRAS, TOP1 LMNA 761/4885TSHR 2438/4885CYP1A1 202/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS LMNA 2392/4885TSHR 3422/4885CYP1A1 479/4885
US-10981891-B2 Antibacterial compounds and uses thereof CFTR, SQOR, NQO1 LMNA 2694/4885TSHR 2596/4885CYP1A1 949/4885
US-20200039955-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF CFTR, SQOR, NQO1 LMNA 2694/4885TSHR 2596/4885CYP1A1 949/4885
US-20040198980-A1 Selective rxr ligands RXRA, RXRB, RXRG LMNA 4181/4885TSHR 81/4885CYP1A1 903/4885
US-10508097-B2 Antibacterial compounds and uses thereof CFTR, SQOR, NQO1 LMNA 2694/4885TSHR 2596/4885CYP1A1 949/4885

“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.