SCHEMBL2033249

SCHEMBL2033249

CCCCOc1cc(Br)c(OCCCC)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
PTPN1 P18031 4/20 0.44
THRA P10827 3/20 0.44
THRB P10828 3/20 0.44
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL2038965 0.93 THRA (0.47) CYP1A2CYP2C19THRATHRBTDP1
SCHEMBL25953111 0.93 PTPN1 (0.47) CYP1A2CYP2C19CYP2C9PTPN1THRA
SCHEMBL2053781 0.91 THRA (0.49) THRATHRBMAPTMEN1KMT2A
SCHEMBL197292 0.91 THRA (0.49) THRATHRBMAPTMEN1KMT2A
SCHEMBL339687 0.91 THRA (0.49) THRATHRBMAPTMEN1KMT2A
SCHEMBL339836 0.91 THRA (0.49) THRATHRBMAPTMEN1KMT2A
SCHEMBL2049161 0.91 THRA (0.49) THRATHRBMAPTMEN1KMT2A
SCHEMBL7739532 0.91 CYP1A2 (0.45) CYP1A2CYP2C19CYP2C9PTPN1THRA
SCHEMBL29622968 0.91 CYP1A2 (0.45) CYP1A2CYP2C19CYP2C9PTPN1THRA
SCHEMBL13309998 0.90 SMN1; SMN2 (0.42) CYP1A2CYP2C19CYP2C9PTPN1THRA

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-8525131-B2 Phosphorescent organic compounds THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-09-03 US claimed
US-20120248337-A1 PHOSPHORESCENT ORGANIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US claimed
WO-2011066415-A2 PHOSPHORESCENT ORGANIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-06-03 WO claimed
CN-115151523-A Metal-organic structure having carboxylate ion having terphenyl skeleton as ligand 学校法人立教学院 2022-10-04 CN disclosed
US-9109081-B2 Method for producing aromatic polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-18 US disclosed
US-9109081-B2 Method for producing aromatic polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-18 US disclosed
US-9109081-B2 Method for producing aromatic polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-18 US disclosed
EP-1854833-B1 METHOD FOR PRODUCING AROMATIC POLYMER SUMITOMO CHEMICAL CO (JP) 2013-07-31 EP disclosed
US-20100144999-A1 METHOD FOR PRODUCING AROMATIC POLYMER SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2010-06-10 US disclosed
US-20100144999-A1 METHOD FOR PRODUCING AROMATIC POLYMER SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2010-06-10 US disclosed
US-20100144999-A1 METHOD FOR PRODUCING AROMATIC POLYMER SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2010-06-10 US disclosed
EP-1854833-A1 METHOD FOR PRODUCING AROMATIC POLYMER Sumitomo Chemical Company, Limited (JP) 2007-11-14 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 (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-20120248337-A1 PHOSPHORESCENT ORGANIC COMPOUNDS PAICS, PPIP5K2, PPA1 CYP1A2 3810/4885CYP2C19 3654/4885CYP2C9 3572/4885

“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.