SCHEMBL1800029

SCHEMBL1800029

O=[C]c1cc([N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.55
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 5/20 0.50
TSHR P16473 5/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
VCAM1 P19320 1/20 0.49
TXNRD1 Q16881 1/20 0.48
TXNRD3 Q86VQ6 1/20 0.48
TXNRD2 Q9NNW7 1/20 0.48
LMNA P02545 2/20 0.45
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 2/20 0.44
ACHE P22303 2/20 0.43
PTPRC P08575 1/20 0.42
S100A4 P26447 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL1795352 0.84 TDP1 (0.57) GPR35TDP1ALDH1A1TSHRTP53
SCHEMBL5962192 0.83 VCAM1 (0.52) GPR35TDP1ALDH1A1TSHRTP53
SCHEMBL698847 0.82 VCAM1 (0.66) GPR35TDP1ALDH1A1TSHRTP53
SCHEMBL11673788 0.80 TSHR (0.44) GPR35TDP1ALDH1A1TSHRMAPK1
SCHEMBL28857833 0.80 TDP1 (0.57) TDP1ALDH1A1TSHRVCAM1LMNA
SCHEMBL2354315 0.80 TSHR (0.64) GPR35TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL28760315 0.80 VCAM1 (0.49) GPR35TDP1ALDH1A1TSHRTP53
SCHEMBL16570514 0.78 TDP1 (0.60) TDP1ALDH1A1TSHRMAPK1LMNA
SCHEMBL9053950 0.78 TSHR (0.42) GPR35TDP1ALDH1A1TSHRHPGD
SCHEMBL8761094 0.78 MAPK1 (0.60) TDP1ALDH1A1TSHRMAPK1VCAM1

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
WO-2024101298-A1 METHOD FOR PRODUCING MACROLIDE COMPOUND エーザイ・アール・アンド・ディー・マネジメント株式会社 2024-05-16 WO disclosed
EP-2796455-A1 METHOD FOR PRODUCING SULFONATE Sumitomo Chemical Co., Ltd (JP) 2014-10-29 EP disclosed
CN-104011039-A Process for producing sulfonate SUMITOMO CHEMICAL CO 2014-08-27 CN disclosed
EP-1889826-B1 METHOD FOR PRODUCING A HEXAHYDROFUROFURANOL DERIVATIVE SUMITOMO CHEMICAL CO (JP) 2011-10-26 EP disclosed
US-7951977-B2 Process for producing hexahydrofurofuranol derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-31 US disclosed
US-20090176999-A1 Process for producing hexahydrofurofuranol derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed
EP-1889826-A1 METHOD FOR PRODUCING HEXAHYDROFUROFURANOL DERIVATIVE Sumitomo Chemical Company, Limited (JP) 2008-02-20 EP disclosed
EP-0730869-B1 BIODEGRADABLE MEDICINAL POLYMER ASSEMBLY WITH SUPERMOLECULAR STRUCTURE YUI NOBUHIKO (JP) 2001-06-27 EP disclosed
US-5855900-A Supramolecular-structured biodegradable polymeric assembly for drug delivery JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (JP) 1999-01-05 US disclosed
EP-0730869-A1 BIODEGRADABLE MEDICINAL POLYMER ASSEMBLY WITH SUPERMOLECULAR STRUCTURE Yui, Nobuhiko (JP) 1996-09-11 EP disclosed
US-4212811-A Bicyclic lactone intermediates THE UPJOHN COMPANY (US) 1980-07-15 US disclosed
US-3954833-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-05-04 US 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-20090176999-A1 Process for producing hexahydrofurofuranol derivative DHFR, DHPS, CYP4B1 GPR35 3863/4885TDP1 3181/4885ALDH1A1 349/4885

“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.