Butyl Alcohol

Butyl Alcohol

SCHEMBL4496290

CCCCO.N.O=C(O)CC(O)c1ccc(O)cc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
HIF1A Q16665 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 2/20 0.40
HTR1A P08908 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NMUR2 Q9GZQ4 1/20 0.40
HTR3A P46098 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HSD17B3 P37058 7/20 0.39
TRPV1 Q8NER1 1/20 0.39
ALOX15 P16050 2/20 0.39
APEX1 P27695 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5864212 0.83 TAAR1 (0.54) TAAR1TDP1HIF1AKDM4EALDH1A1
SCHEMBL4483465 0.83 TAAR1 (0.54) TAAR1TDP1HIF1AKDM4EALDH1A1
SCHEMBL4483463 0.83 TAAR1 (0.54) TAAR1TDP1HIF1AKDM4EALDH1A1
SCHEMBL604072 0.73 ESR1 (0.47) TDP1CYP2C9BLMTSHRNFKB1
Octopamine SCHEMBL17688529 0.73 TAAR1 (0.61) TAAR1TDP1HIF1AKDM4ETHPO
SCHEMBL4625231 0.73 TAAR1 (0.54) TAAR1TDP1HIF1AKDM4EALDH1A1
SCHEMBL11760750 0.72 ALDH1A1 (0.48) TDP1ALDH1A1CYP2C9TSHRLMNA
Paraben SCHEMBL27952238 0.72 CA12 (0.61) SMN1; SMN2TSHRHSD17B3LMNAESR1
Octopamine SCHEMBL17688517 0.72 KDM4E (0.62) TAAR1TDP1HIF1AKDM4ETHPO
SCHEMBL9121212 0.71 TAAR1 (0.52) TAAR1TDP1HIF1AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498431-B2 Process for the preparation of chiral azetidinones FRAMROZE BOMI PATEL 2009-03-03 US disclosed
US-20070129540-A1 Process for the preparation of chiral azetidinones OPUS ORGANICS PVT LIMITED (IN) 2007-06-07 US disclosed
US-7002008-B2 Process for the preparation of 1-(4-fluorophenyl)-4(S)-(4-hydroxyphenyl)-azetidin-2-one FRAMROZE BOMI PATEL 2006-02-21 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-20070129540-A1 Process for the preparation of chiral azetidinones CYP1B1, ALDH7A1, CYP3A5 TAAR1 4377/4885TDP1 4654/4885HIF1A 4076/4885

“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.