1,4-Butanediol

1,4-Butanediol

SCHEMBL811441

O=C(O)c1cccc(Cl)c1.O=C(O)c1cccc(Cl)c1.OCCCCO

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
PARP1 P09874 1/20 0.53
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
NR4A2 P43354 3/20 0.53
RXRA P19793 3/20 0.51
RXRB P28702 3/20 0.51
MRGPRX4 Q96LA9 5/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
CCR2 P41597 1/20 0.47
TPMT P51580 1/20 0.47
AR P10275 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL810858 0.98 NPC1 (0.53) NPC1RAB9APARP1ERCC5FEN1
Ethylene Glycol SCHEMBL810822 0.92 NPC1 (0.57) NPC1RAB9APARP1ERCC5FEN1
Benzene SCHEMBL28107074 0.88 PARP1 (0.65) NPC1RAB9APARP1ERCC5FEN1
SCHEMBL16865710 0.88 PARP1 (0.65) NPC1RAB9APARP1ERCC5FEN1
SCHEMBL38766 0.88 PARP1 (0.65) NPC1RAB9APARP1ERCC5FEN1
SCHEMBL28134936 0.88 PARP1 (0.65) NPC1RAB9APARP1ERCC5FEN1
SCHEMBL29360692 0.88 PARP1 (0.65) NPC1RAB9APARP1ERCC5FEN1
SCHEMBL9317541 0.86 PARP1 (0.63) NPC1RAB9APARP1ERCC5FEN1
SCHEMBL5708245 0.86 PARP1 (0.63) NPC1RAB9APARP1ERCC5FEN1
Isophthalic Acid SCHEMBL4651781 0.86 CA12 (0.56) CA12CA1CA2CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2390241-B1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-10-01 EP disclosed
US-8598349-B2 Method for manufacturing conjugated aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
EP-2390241-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-11-30 EP disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
US-20110256790-A1 THERMAL INSULATION CONTAINING SUPPLEMENTAL INFRARED RADIATION ABSORBING MATERIAL SAINT-GOBAIN ISOVER (FR) 2011-10-20 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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 NPC1 552/4885RAB9A 310/4885PARP1 509/4885

“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.