SCHEMBL14806865

SCHEMBL14806865

CCCC[N+](CCCC)(CCCC)CCCCCCOc1cccc(-c2c3nc(c(-c4cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c4)c4ccc([nH]4)c(-c4cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c4)c4nc(c(-c5cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ TERT O14746 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ MLNR O43193 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL27976881 0.99 TSHR (0.41) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL27976875 0.99 TSHR (0.41) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
Zinc Ion SCHEMBL27976882 0.99 TSHR (0.41) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
Bromide SCHEMBL14806851 0.98 TSHR (0.40) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
Bromide SCHEMBL14806853 0.98 TSHR (0.40) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL584884 0.93 TSHR (0.47) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL12057431 0.91 TSHR (0.41) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL584953 0.90 CYP1A2 (0.40) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL6843058 0.89 CYP1A2 (0.48) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL12668273 0.87 TSHR (0.41) TSHRCYP1A2CYP19A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2759546-B1 METALLOPORPHYRIN COMPLEX, MANUFACTURING PROCESS THEREFOR AND ITS USE AS CARBON DIOXIDE FIXATION CATALYST, AS WELL AS PROCESS FOR MANUFACTURING CYCLIC CARBONATE NAT UNIV CORPORATION OKAYAMA UNIV (JP) 2018-03-21 — — EP disclosed
US-9211534-B2 Metalloporphyrin complex, manufacturing process therefor and carbon dioxide fixation catalyst therefrom, as well as process for manufacturing cyclic carbonate NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2015-12-15 — — US disclosed
US-20140228561-A1 METALLOPORPHYRIN COMPLEX, MANUFACTURING PROCESS THEREFOR AND CARBON DIOXIDE FIXATION CATALYST THEREFROM, AS WELL AS PROCESS FOR MANUFACTURING CYCLIC CARBONATE NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2014-08-14 — — US disclosed
EP-2759546-A1 METAL PORPHYRIN COMPLEX, METHOD FOR PRODUCING SAME, CARBON DIOXIDE IMMOBILIZATION CATALYST COMPRISING SAME, AND METHOD FOR PRODUCING CYCLIC CARBONIC ACID ESTER. National University Corporation Okayama University (JP) 2014-07-30 — — EP disclosed
WO-2013042695-A1 METAL PORPHYRIN COMPLEX, METHOD FOR PRODUCING SAME, CARBON DIOXIDE IMMOBILIZATION CATALYST COMPRISING SAME, AND METHOD FOR PRODUCING CYCLIC CARBONIC ACID ESTER. 国立大学法人岡山大学 (JP) 2013-03-28 — — WO 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 (1 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-20140228561-A1 METALLOPORPHYRIN COMPLEX, MANUFACTURING PROCESS THEREFOR AND CARBON DIOXIDE FIXATION CATALYST THEREFROM, AS WELL AS PROCESS FOR MANUFACTURING CYCLIC CARBONATE CYP4F11, CYP4F2, CYP4F12 TSHR 4010/4885CYP1A2 1265/4885CYP19A1 663/4885

“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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