SCHEMBL2218714

SCHEMBL2218714

CCOc1ccc(O)c(I)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.50
▸ HSD17B10 Q99714 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ LTA4H P09960 1/20 0.47
▸ PCNA P12004 4/20 0.47
▸ ESR1 P03372 1/20 0.45
▸ THRA P10827 3/20 0.44
▸ THRB P10828 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL23907056 0.85 PCNA (0.43) NQO1HSD17B10MAPTALDH1A1LTA4H
SCHEMBL1051397 0.81 LTA4H (0.57) NQO1HSD17B10MAPTALDH1A1LTA4H
SCHEMBL23703968 0.80 NR5A1 (0.59) LTA4HESR1THRATHRBTSHR
SCHEMBL28847519 0.79 NQO1 (0.54) NQO1HSD17B10MAPTALDH1A1LTA4H
SCHEMBL12062656 0.78 NQO1 (0.52) NQO1HSD17B10MAPTALDH1A1LTA4H
SCHEMBL8386278 0.78 ALDH1A1 (0.58) NQO1HSD17B10MAPTALDH1A1LTA4H
SCHEMBL3720970 0.78 NQO1 (0.52) NQO1HSD17B10MAPTALDH1A1LTA4H
Alcohol SCHEMBL27353807 0.78 LTA4H (0.53) NQO1HSD17B10MAPTALDH1A1LTA4H
SCHEMBL339500 0.77 LTA4H (0.57) NQO1HSD17B10MAPTALDH1A1LTA4H
SCHEMBL9640062 0.77 ALDH1A1 (0.55) HSD17B10MAPTALDH1A1PCNATHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2949655-B1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEM IND CO (JP) 2019-05-15 — — EP disclosed
US-9707551-B2 Reaction catalyst for cross-coupling and method for manufacturing aromatic compound HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-18 — — US disclosed
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2015-12-17 — — US disclosed
EP-2949655-A1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND Hokko Chemical Industry Co., Ltd. (JP) 2015-12-02 — — EP disclosed
EP-1775335-B9 Organic electroluminescent element IDEMITSU KOSAN CO (JP) 2013-06-26 — — EP disclosed
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 — — US disclosed
EP-1775335-B1 Organic electroluminescent element IDEMITSU KOSAN CO (JP) 2012-05-23 — — EP disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 — — US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 — — US disclosed
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 — — US disclosed
EP-1775335-A2 Organic lectroluminescent element IDEMITSU KOSAN COMPANY LIMITED (JP) 2007-04-18 — — EP disclosed
US-20060189828-A1 Organic electrolumescence device IDEMITSU KOSAN CO., LTD. (JP) 2006-08-24 — — US disclosed
EP-1666561-A1 Organic electroluminescent element IDEMITSU KOSAN COMPANY LIMITED (JP) 2006-06-07 — — EP disclosed
US-6951693-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2005-10-04 — — US disclosed
US-20050038296-A1 Organic electrolumescence device IDEMITSU KOSAN CO., LTD. (JP) 2005-02-17 — — US disclosed
US-6743948-B1 HAVING DUAL CHRYSENE RINGS LINKED BY AMINO FUNCTIONALITY HAVING FURTHER ARYL AND ALKENYL SUBSTITUTION; EFFICIENCY; HEAT RESISTANCE; DURABILITY IDEMITSU KOSAN CO., LTD. (JP) 2004-06-01 — — US disclosed
US-20030072966-A1 Organic electrolumescence device IDEMITSU KOSAN CO., LTD. (JP) 2003-04-17 — — US disclosed
EP-1061112-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-12-20 — — EP 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 (8 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-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 NQO1 849/4885HSD17B10 2146/4885MAPT 3667/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 NQO1 849/4885HSD17B10 2146/4885MAPT 3667/4885
US-20030072966-A1 Organic electrolumescence device ABCC1, CCND1, JUND NQO1 868/4885HSD17B10 958/4885MAPT 2792/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 NQO1 839/4885HSD17B10 3421/4885MAPT 2504/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 NQO1 849/4885HSD17B10 2146/4885MAPT 3667/4885
US-20050038296-A1 Organic electrolumescence device CHRM1, SCO2, CHRM4 NQO1 881/4885HSD17B10 2022/4885MAPT 3881/4885
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND ALK, HRH4, HRH3 NQO1 4524/4885HSD17B10 2579/4885MAPT 4800/4885
US-20060189828-A1 Organic electrolumescence device SCO2, CHRM1, CHRM4 NQO1 849/4885HSD17B10 2146/4885MAPT 3667/4885

“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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