SCHEMBL571771

SCHEMBL571771

COc1cc([C@@H](O)C(=O)O)cc(Br)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
BLM P54132 1/20 0.54
APOBEC3A P31941 1/20 0.51
HTT P42858 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
TNFRSF1A P19438 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 2/20 0.42
TPMT P51580 1/20 0.41
ALOX15 P16050 1/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL571770 1.00 TSHR (0.54) TSHRNPSR1BLMAPOBEC3AHTT
SCHEMBL1572868 0.88 BLM (0.62) TSHRNPSR1BLMHTTHPGD
SCHEMBL1572866 0.88 BLM (0.62) TSHRNPSR1BLMHTTHPGD
SCHEMBL8824090 0.82 BLM (0.64) TSHRNPSR1BLMHPGDMAPT
SCHEMBL1892421 0.80 TSHR (0.49) TSHRNPSR1APOBEC3AHTTAPOBEC3G
Dimethylformamide SCHEMBL28191624 0.78 BLM (0.51) TSHRNPSR1BLMHTTHPGD
Dimethylformamide SCHEMBL28191620 0.78 BLM (0.51) TSHRNPSR1BLMHTTHPGD
SCHEMBL11135068 0.78 BLM (0.67) TSHRNPSR1BLMMAPTALDH1A1
SCHEMBL11135072 0.78 BLM (0.67) TSHRNPSR1BLMMAPTALDH1A1
SCHEMBL6774969 0.77 TSHR (0.48) TSHRNPSR1APOBEC3AHTTAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9748487-B2 Polymers based on naphthodiones BASF SE (DE) 2017-08-29 US disclosed
EP-2917304-B1 POLYMERS BASED ON NAPHTHODIONES BASF SE (DE) 2016-10-26 EP disclosed
US-20160049588-A1 POLYMERS BASED ON NAPHTHODIONES BASF SE (DE) 2016-02-18 US disclosed
EP-2917304-A2 POLYMERS BASED ON NAPHTHODIONES BASF SE (DE) 2015-09-16 EP disclosed
WO-2014072292-A2 POLYMERS BASED ON NAPHTHODIONES BASF SE (DE) 2014-05-15 WO disclosed
WO-2012017005-A2 POLYMERS BASED ON BENZODIONES BASF SE (DE) 2012-02-09 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-20160049588-A1 POLYMERS BASED ON NAPHTHODIONES CCND2, CCND1, PCNA TSHR 3050/4885NPSR1 1486/4885BLM 274/4885

“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.