SCHEMBL4071544

SCHEMBL4071544

CCCCCc1cc[n+]([O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.50
▸ ESR1 P03372 2/20 0.50
▸ ADRA2A P08913 2/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50
▸ TACR2 P21452 2/20 0.50
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ PTGS2 P35354 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SHBG P04278 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ HSPD1 P10809 1/20 0.50
▸ ADRB3 P13945 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HSPE1 P61604 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ TST Q16762 1/20 0.50

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
SCHEMBL10983126 0.98 ESR1 (0.53) CYP3A4ESR1ADRA2AADORA3TACR2
SCHEMBL9440297 0.98 ESR1 (0.53) CYP3A4ESR1ADRA2AADORA3TACR2
SCHEMBL8028115 0.98 ESR1 (0.53) CYP3A4ESR1ADRA2AADORA3TACR2
SCHEMBL6622409 0.93 CA2 (0.47) CYP3A4ESR1ADRA2AADORA3TACR2
SCHEMBL30518612 0.84 CA2 (0.43) CYP3A4ESR1ADRA2AADORA3TACR2
SCHEMBL6181011 0.84 CA2 (0.43) CYP3A4ALDH1A1LMNACA2LPL
SCHEMBL5222347 0.80 HTR2A (0.57) CYP3A4ESR1ADRA2AADORA3TACR2
SCHEMBL5305758 0.78 HTR2A (0.61) CYP3A4ESR1ADRA2AADORA3TACR2
SCHEMBL10645352 0.78 HTR2A (0.61) CYP3A4ESR1ADRA2AADORA3TACR2
Bromide SCHEMBL11492916 0.78 ESR1 (0.55) CYP3A4ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084171-B1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO KK (JP) 2013-04-10 — — EP disclosed
CN-101535325-B Iridium complex compound, organic electroluminescent device obtained using the same, and use of the device SHOWA DENKO KK 2012-07-04 — — CN disclosed
US-20090315454-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO K.K. (JP) 2009-12-24 — — US disclosed
CN-101535325-A Iridium complex compound, organic electroluminescent device obtained using the same, and use of the device SHOWA DENKO KK (JP) 2009-09-16 — — CN disclosed
EP-2084171-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE Showa Denko K.K. (JP) 2009-08-05 — — EP disclosed
WO-2008056799-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE SHOWA DENKO K.K. (JP) 2008-05-15 — — WO disclosed
CN-1315859-C Lincomycin derivatives possessing antibacterial activity VICURON PHARM INC (US) 2007-05-16 — — CN disclosed
US-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 — — US disclosed
US-7164011-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-01-16 — — US disclosed
EP-1654268-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-05-10 — — EP disclosed
CN-1681832-A Lincomycin derivatives possessing antibacterial activity VICURON PHARM INC (US) 2005-10-12 — — CN disclosed
EP-1529052-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-05-11 — — EP disclosed
WO-2005007665-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2005-01-27 — — WO disclosed
US-20040230046-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-11-18 — — US disclosed
US-20040116690-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-06-17 — — US disclosed
WO-2004016632-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-02-26 — — 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 (2 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-20040230046-A1 Lincomycin derivatives possessing antibacterial activity NRDC, NISCH, CLSPN CYP3A4 3577/4885ESR1 4176/4885ADRA2A 4529/4885
US-20090315454-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE ELP1, RUVBL1, LIG1 CYP3A4 2449/4885ESR1 121/4885ADRA2A 3838/4885

“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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