SCHEMBL5397237

SCHEMBL5397237

CCOC(OCC)c1ccccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA14 Q9ULX7 1/20 0.48
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IDO1 P14902 2/20 0.42
TDO2 P48775 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
ADRA2B P18089 1/20 0.40
PTGS1 P23219 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 1/20 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
SCHEMBL5393586 0.88 ALDH1A1 (0.50) L3MBTL1POLBNPSR1ALDH1A1TDP1
SCHEMBL5393022 0.85 ALDH1A1 (0.46) ALDH1A1ADRA2B
SCHEMBL22824152 0.82 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL10583512 0.81 LTA4H (0.48) HTTL3MBTL1POLBALDH1A1TSHR
SCHEMBL5392405 0.80 IDO1 (0.46) IDO1ALDH1A1TSHRLMNACYP1A2
SCHEMBL5403014 0.79 CA1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL9475270 0.78 SMN1; SMN2 (0.43) L3MBTL1NPSR1ALDH1A1CYP1A2
SCHEMBL1918798 0.78 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL5390114 0.77 ADRA1A (0.56) CA1CA2CA7CA9CA12
SCHEMBL14945385 0.77 LMNA (0.45) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11918984-B2 Annulation catalysts via direct C—H bond amination PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-03-05 US disclosed
US-20230174853-A1 QUANTUM DOT COMPOSITION, DISPLAY APPARATUS AND MANUFACTURING METHOD OF THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-08 US disclosed
US-20230174853-A1 QUANTUM DOT COMPOSITION, DISPLAY APPARATUS AND MANUFACTURING METHOD OF THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-08 US disclosed
US-20220016613-A1 NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-01-20 US disclosed
WO-2020061300-A1 NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-03-26 WO disclosed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US disclosed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 US disclosed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 EP disclosed
EP-1715839-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 2006-11-02 EP disclosed
US-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 US disclosed
US-5578251-A NONLINEAR-OPTICAL RESPONSE; ALKYLATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-11-26 US disclosed
US-5360582-A Compositions with polymers for light sensitive elements MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-01 US disclosed
EP-0594697-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-05-04 EP disclosed
WO-1993002383-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-02-04 WO disclosed
US-4421924-A FROM GULONO-1,4-LACTONE PFIZER INC. (US) 1983-12-20 US disclosed
US-4283340-A VITAMINS PFIZER INC. (US) 1981-08-11 US disclosed
EP-0000243-B1 PROCESS FOR PREPARING 3,5:4,6- PROTECTED DERIVATIVES OF L- OR D- GULONIC ACID, THEIR USE IN PREPARING 2- KETO-L- OR D- GULONIC ACID OR THEIR ESTERS OR L- OR D- ASCORBIC ACID, AND CERTAIN NOVEL 2-NITRATO-GULONATE INTERMEDIATES PFIZER INC. (US) 1981-01-07 EP disclosed
US-4232168-A OXIDATION, HYDROLYSIS PFIZER INC. (US) 1980-11-04 US disclosed
EP-0000243-A1 Process for preparing 3,5:4,6- protected derivatives of L- or D- gulonic acid, their use in preparing 2- keto-L- or D- gulonic acid or their esters or L- or D- ascorbic acid, and certain novel 2-nitrato-gulonate intermediates PFIZER INC. (US) 1979-01-10 EP disclosed
US-4038386-A INOTROPIC AGENTS DEUTSCH GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-07-26 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 (3 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-11918984-B2 Annulation catalysts via direct C—H bond amination AADAC, AOC1, CAD CA1 730/4885CA2 961/4885CA7 678/4885
US-20220016613-A1 NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION AADAC, CAD, AOC1 CA1 847/4885CA2 998/4885CA7 978/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 CA1 626/4885CA2 610/4885CA7 369/4885

“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.