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
SCHEMBL277112 0.68 CA1 (0.32) CA1CA9CYP2B6
SCHEMBL21457851 0.68
SCHEMBL322096 0.67 CYP2B6 (0.41) CA1CA9STSCYP1A1CYP1A2
SCHEMBL2119471 0.67 CA1 (0.31) CA1CA9STS
SCHEMBL9208 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.