SCHEMBL277103

SCHEMBL277103

[c]1cccc2c1OCC=C2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ STS P08842 1/20 0.32
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2B6 P20813 1/20 0.31

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
SCHEMBL1895577 0.71 — —
SCHEMBL3069943 0.69 — —
SCHEMBL1420112 0.68 CYP2B6 (0.42) CA1CA9STSCYP1A1CYP1A2
SCHEMBL29804409 0.68 CYP2B6 (0.42) CA1CA9STSCYP1A1CYP1A2
SCHEMBL15062465 0.68 CA1 (0.36) CA1CA9
SCHEMBL21457851 0.68 — —
SCHEMBL277112 0.68 CA1 (0.32) CA1CA9CYP2B6
SCHEMBL322096 0.67 CYP2B6 (0.41) CA1CA9STSCYP1A1CYP1A2
SCHEMBL2119471 0.67 CA1 (0.31) CA1CA9STS
SCHEMBL2289180 0.66 CYP2B6 (0.43) CA1CA9STSCYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423212-B1 PROCESS FOR PRODUCTION OF 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-06-01 — — EP claimed
US-5280009-A Herbicide BASF AKTIENGESELLSCHAFT (DE) 1994-01-18 — — US claimed
US-11548910-B2 Oligonucleotide production method NISSAN CHEMICAL CORPORATION (JP) 2023-01-10 — — US disclosed
US-20190169223-A1 OLIGONUCLEOTIDE PRODUCTION METHOD NISSAN CHEMICAL CORPORATION (JP) 2019-06-06 — — US disclosed
EP-3378869-A1 METHOD FOR PRODUCING OLIGONUCLEOTIDE Nissan Chemical Corporation (JP) 2018-09-26 — — EP disclosed
US-20180201989-A1 OXIDANT AND USE THEREOF THE UNIVERSITY OF TOKYO (JP) 2018-07-19 — — US disclosed
US-9751821-B1 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-09-05 — — US disclosed
US-20170233321-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-17 — — US disclosed
US-9676692-B2 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-13 — — US disclosed
EP-2792675-B1 COMPOUND AND ASYMMETRIC SYNTHESIS REACTION MICROBIAL CHEM RES FOUND (JP) 2017-04-12 — — EP disclosed
EP-2439204-B1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER NISSAN CHEMICAL IND LTD (JP) 2017-01-04 — — EP disclosed
US-5846991-A Pyrazole derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-08 — — US disclosed
US-5840909-A Pyrazole derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 — — US disclosed
US-5817828-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS; VISION DEFECTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-06 — — US disclosed
EP-0852584-A1 PEPTIDE DERIVATIVES HAVING ENDOTHELIN RECEPTOR ANTAGONISTIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 1998-07-15 — — EP disclosed
US-5721264-A EXHIBIT ANTAGONISTIC EFFECT AGAINST ANGIOTENSIN II; USEFUL FOR PREVENTION AND REMEDY OF HYPERTENSION, CONGESTIVE HEARTFAILURE, CHRONIC RENAL INSUFFICIENCY, ALDOSTERONISM NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-24 — — US disclosed
EP-0811629-A1 OPTICALLY ACTIVE BIDENTATE PHOSPHINE LIGAND/PALLADIUM COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-12-10 — — EP disclosed
WO-1997011961-A1 PEPTIDE DERIVATIVES HAVING ENDOTHELIN RECEPTOR ANTAGONISTIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 — — WO disclosed
EP-0693480-A1 PYRAZOLE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-01-24 — — EP disclosed
US-5280009-A Herbicide BASF AKTIENGESELLSCHAFT (DE) 1994-01-18 — — 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-11548910-B2 Oligonucleotide production method RNGTT, OSGEP, PHAX CA1 3993/4885CA9 3025/4885STS 1920/4885
US-20190169223-A1 OLIGONUCLEOTIDE PRODUCTION METHOD RNGTT, OSGEP, PHAX CA1 3993/4885CA9 3025/4885STS 1920/4885
US-20170233321-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND ADH1C, ADH1A, CYP2E1 CA1 343/4885CA9 2960/4885STS 1118/4885

“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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