SCHEMBL7227687

SCHEMBL7227687

COc1cccccc1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.60
▸ CA2 P00918 4/20 0.60
▸ CA7 P43166 3/20 0.60
▸ CA9 Q16790 3/20 0.60
▸ CA12 O43570 2/20 0.60
▸ CA14 Q9ULX7 2/20 0.60
▸ CA4 P22748 1/20 0.60
▸ KMT2A Q03164 5/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ PTGS1 P23219 1/20 0.48

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
SCHEMBL10423882 0.83 KMT2A (0.52) CA1CA2CA7CA9CA12
SCHEMBL11442190 0.80 CA1 (0.55) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL27452731 0.80 CA1 (0.93) CA1CA2CA7CA9CA12
SCHEMBL5693313 0.78 MAPT (0.58) CA1CA2CA7CA9CA12
SCHEMBL11447558 0.78 ALDH1A1 (0.54) CA1CA2CA7CA9CA12
SCHEMBL11439546 0.78 CA1 (0.67) CA1CA2CA7CA9CA12
SCHEMBL23057212 0.77 KMT2A (0.45) CA1CA2CA7CA9CA12
SCHEMBL19509564 0.77 KMT2A (0.61) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
1,2-Dimethoxybenzene SCHEMBL5308636 0.76 CA1 (1.00) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL29351917 0.76 CA1 (1.00) 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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163393-A1 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2021-06-03 — — US claimed
CN-112672786-A Hinokitiol analogue, preparation method and pharmaceutical composition thereof 伊利诺伊大学评议会 2021-04-16 — — CN claimed
EP-3773900-A2 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF The Board of Trustees of the University of Illinois (US) 2021-02-17 — — EP claimed
WO-2019200314-A2 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-10-17 — — WO claimed
US-12084411-B2 Hinokitiol analogues, methods of preparing and pharmaceutical compositions thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-09-10 — — US disclosed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 — — US disclosed
US-20210163393-A1 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2021-06-03 — — US disclosed
US-20210163393-A1 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2021-06-03 — — US disclosed
CN-112672786-A Hinokitiol analogue, preparation method and pharmaceutical composition thereof 伊利诺伊大学评议会 2021-04-16 — — CN disclosed
WO-2021041776-A1 LIPOSOMAL TROPONOID COMPOUND FORMULATIONS UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2021-03-04 — — WO disclosed
EP-3773900-A2 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF The Board of Trustees of the University of Illinois (US) 2021-02-17 — — EP disclosed
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-12 — — US disclosed
US-4337265-A COMPLICATIONS OF DIABETES AYERST, MCKENNA & HARRISON INC. (CA) 1982-06-29 — — US disclosed
US-4333937-A 2-(Piperazinyl)-4-pyrimioinamines AMERICAN HOME PRODUCTS CORP. (US) 1982-06-08 — — US disclosed
EP-0039190-A1 2-(1-Piperazinyl)-4-pyrimidinamines and related compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-04 — — EP disclosed
WO-1981003022-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PROD (US) 1981-10-29 — — WO disclosed
EP-0056027-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 1981-10-29 — — EP disclosed
EP-0034894-A2 2-(1-Piperazinyl)-2,4,6-cycloheptatrien-1-one derivatives, processes for their preparation, intermediates used in the processes and the preparation thereof and pharmaceutical compositions containing the derivatives AYERST, MCKENNA AND HARRISON INC. (CA) 1981-09-02 — — EP disclosed
EP-0033660-A1 2-(1-Piperazinyl)-cycloheptimidazole derivatives, processes for their preparation, pharmaceutical compositions containing them, and the preparation of such compositions AMERICAN HOME PRODUCTS CORPORATION (US) 1981-08-12 — — EP disclosed
US-4258188-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1981-03-24 — — 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-12084411-B2 Hinokitiol analogues, methods of preparing and pharmaceutical compositions thereof CYP27A1, CYP27B1, HSD17B7 CA1 3836/4885CA2 3040/4885CA7 837/4885
US-20210163393-A1 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF CYP27A1, CYP27B1, HSD17B7 CA1 3836/4885CA2 3040/4885CA7 837/4885
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease POLRMT, RNASE1, POLM CA1 564/4885CA2 1228/4885CA7 602/4885

“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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