SCHEMBL186771

SCHEMBL186771

[S]C1C2CC3CC(C2)CC1C3

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
EPHX2 P34913 1/20 0.39
HSD11B1 P28845 1/20 0.32
CYP2A13 Q16696 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
Adamantane SCHEMBL29707714 0.68 CYP2C9 (0.46) CYP2C9EPHX2HSD11B1
Adamantane SCHEMBL12761 0.68 CYP2C9 (0.46) CYP2C9EPHX2HSD11B1
Adamantane SCHEMBL9016497 0.68 CYP2C9 (0.46) CYP2C9EPHX2HSD11B1
Adamantane SCHEMBL1527414 0.68 CYP2C9 (0.46) CYP2C9EPHX2HSD11B1
SCHEMBL2189873 0.67 CYP2C9 (0.50) CYP2C9EPHX2HSD11B1CYP2A13CA1
SCHEMBL10459155 0.64 CYP2C9 (0.47) CYP2C9EPHX2HSD11B1CYP2A13CA1
Adamantane SCHEMBL25252048 0.63 CYP2C9 (0.43) CYP2C9EPHX2
Adamantane SCHEMBL21067465 0.63 CYP2C9 (0.43) CYP2C9EPHX2
Adamantane SCHEMBL21192802 0.63 CYP2C9 (0.43) CYP2C9EPHX2
Adamantane SCHEMBL21820021 0.63 CYP2C9 (0.43) CYP2C9EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778510-B2 Pyrromethene-boron complex compounds and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-15 US disclosed
EP-2402351-B1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTRO- LUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO (JP) 2013-10-09 EP disclosed
US-20130001472-A1 THIN FILM AND COMPOUND USED IN THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-03 US disclosed
US-20120211706-A1 POLYDENTATE LIGAND METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-23 US disclosed
US-20120049167-A1 ORGANIC ELECTROLUMINESCENT DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed
EP-2423192-A1 METAL COMPLEX HAVING AROMATIC LIGAND THAT CONTAINS NITROGEN ATOM Sumitomo Chemical Company, Limited (JP) 2012-02-29 EP disclosed
US-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME MITSUI CHEMICALS, INC. 2012-02-16 US disclosed
EP-2402351-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTRO- LUMINESCENT ELEMENTS USING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-01-04 EP disclosed
EP-2383814-A1 ORGANIC ELECTROLUMINESCENT DEVICE Sumitomo Chemical Company, Limited (JP) 2011-11-02 EP disclosed
US-7371503-B2 Sulfonium salt compound, photoacid generator, and positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2008-05-13 US disclosed
US-20060141383-A1 Sulfonium salts, radiation- sensitive acid generators, and positive radiator-sensitive resin compositions JSR CORPORATION (JP) 2006-06-29 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 (4 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-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME LEF1, ZRANB2, AFF1 CYP2C9 1451/4885EPHX2 2681/4885HSD11B1 1080/4885
US-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM MICA, CD4, CLTC CYP2C9 3539/4885EPHX2 4657/4885HSD11B1 4313/4885
US-20130001472-A1 THIN FILM AND COMPOUND USED IN THE SAME NR2E3, NR3C1, NR0B2 CYP2C9 3895/4885EPHX2 2673/4885HSD11B1 1196/4885
US-20120211706-A1 POLYDENTATE LIGAND METAL COMPLEX CAD, SLC7A5, PICALM CYP2C9 4178/4885EPHX2 4398/4885HSD11B1 4776/4885

“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.