SCHEMBL3539849

SCHEMBL3539849

O=CC(=O)c1cccc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.59
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ CA6 P23280 1/20 0.59
▸ CA9 Q16790 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ PARP1 P09874 1/20 0.57
▸ CHRNA7 P36544 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.53
▸ EGLN2 Q96KS0 1/20 0.53
▸ P4HB P07237 5/20 0.53
▸ FASN P49327 1/20 0.50
▸ USP2 O75604 1/20 0.49
▸ CLK1 P49759 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ DYRK1B Q9Y463 1/20 0.48
▸ NR1H4 Q96RI1 2/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.46

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
Water SCHEMBL11567036 0.98 CA12 (0.57) CA12CA1CA2CA6CA9
SCHEMBL503007 0.86 TDP1 (0.68) CA12CA1CA2CA6CA9
SCHEMBL27810318 0.81 AKT1 (0.59) CA12CA1CA2CA6CA9
SCHEMBL11038651 0.81 CA12 (0.57) CA12CA1CA2CA6CA9
SCHEMBL30495832 0.81 AKT1 (0.59) CA12CA1CA2CA6CA9
SCHEMBL5556723 0.78 TDP1 (0.64) CA12CA1CA2CA6CA9
SCHEMBL28779665 0.78 ALDH1A1 (0.58) ALDH1A1MAPK1TDP1
SCHEMBL23258705 0.78 CHRNA7 (0.58) CA12CA1CA2CA6CA9
SCHEMBL9122850 0.78 CA12 (0.53) CA12CA1CA2CA6CA9
SCHEMBL9122855 0.78 CA12 (0.53) CA12CA1CA2CA6CA9

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989384-B Polymerizable liquid crystal compound, liquid crystal composition for optical element, polymer, optically anisotropic body, and optical element for display device 株式会社LG化学 2023-09-08 — — CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
CN-111989384-A Polymerizable liquid crystal compound, liquid crystal composition for optical element, polymer, optically anisotropic body, and optical element for display device 株式会社LG化学 2020-11-24 — — CN disclosed
US-7691858-B2 Kinase inhibitors and methods of use thereof TARGEGEN, INC. (US) 2010-04-06 — — US disclosed
WO-2007127366-A2 KINASE INHIBITORS AND METHODS OF USE THEREOF TARGEGEN, INC. (US) 2007-11-08 — — WO disclosed
US-20070259876-A1 Kinase inhibitors and methods of use thereof TARGEGEN, INC. (US) 2007-11-08 — — US disclosed
US-20040180917-A1 Novel tricyclic dihydro-quinoline derivatives, method for preparing same and pharmaceutical compositions containing the same HUSSON HENRI-PHILIPPE (FR) 2004-09-16 — — US disclosed
EP-0536896-B1 Imidazolidyl macrolides having immunosuppressive activity MERCK & CO INC (US) 1997-12-17 — — EP disclosed
US-5344925-A Autoimmune diseases; infections; organ transplants MERCK & CO., INC. (US) 1994-09-06 — — US disclosed
US-5247076-A IMIDAZOLIDYL MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1993-09-21 — — US disclosed
EP-0536896-A1 Imidazolidyl macrolides having immunosuppressive activity MERCK & CO. INC. (US) 1993-04-14 — — EP disclosed
WO-1993005059-A1 IMIDAZOLIDYL MACROLIDES MERCK & CO., INC. (US) 1993-03-18 — — WO disclosed
EP-0201221-B1 6-(1-ACYL-1-HYDROXY METHYL) PENICILLANIC ACID DERIVATIVES PFIZER INC. (US) 1990-08-01 — — EP disclosed
US-4762921-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1988-08-09 — — US disclosed
US-4675186-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1987-06-23 — — US disclosed
EP-0201221-A1 6-(1-acyl-1-hydroxy methyl) penicillanic acid derivatives PFIZER INC. (US) 1986-11-12 — — EP 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-20070259876-A1 Kinase inhibitors and methods of use thereof ROCK1, ADCK1, MAP3K20 CA12 4278/4885CA1 2627/4885CA2 2044/4885
US-20040180917-A1 Novel tricyclic dihydro-quinoline derivatives, method for preparing same and pharmaceutical compositions containing the same SCN11A, CYP4A11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CA12 791/4885CA1 1493/4885CA2 547/4885

“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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