1-Hexanol

1-Hexanol

SCHEMBL5905855

C=CC.CCCCCCO.O=C(O)O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of 1-Hexanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
ALDH1A1 P00352 4/20 0.59
LMNA P02545 2/20 0.59
HSD17B10 Q99714 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.55
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
PTPN1 P18031 3/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44

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
Butyl Alcohol SCHEMBL7054591 0.91 ALDH1A1 (0.55) TSHRALDH1A1LMNAHSD17B10MEN1
Myristyl Alcohol SCHEMBL27619355 0.91 TSHR (0.72) TSHRALDH1A1LMNAHSD17B10MEN1
Decane SCHEMBL11801810 0.91 GPR84 (0.52) TSHRALDH1A1HSD17B10MEN1KMT2A
Heptane SCHEMBL4552753 0.91 GPR84 (0.52) TSHRALDH1A1HSD17B10MEN1KMT2A
Octanol SCHEMBL5159414 0.91 TSHR (0.72) TSHRALDH1A1LMNAHSD17B10MEN1
Hexadecane SCHEMBL11801817 0.91 GPR84 (0.52) TSHRALDH1A1HSD17B10MEN1KMT2A
1-Hexanol SCHEMBL28299651 0.91 TSHR (0.72) TSHRALDH1A1LMNAHSD17B10MEN1
Cetostearyl Alcohol SCHEMBL28119730 0.91 TSHR (0.72) TSHRALDH1A1LMNAHSD17B10MEN1
Dodecanol SCHEMBL10801052 0.91 TSHR (0.72) TSHRALDH1A1LMNAHSD17B10MEN1
Dodecanol SCHEMBL9228924 0.88 TSHR (0.68) TSHRALDH1A1LMNAHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060083701-A1 Nail enamel compositions, related methods, and a two component kit for painting the nails REVLON CONSUMER PRODUCTS CORPORATION (US) 2006-04-20 US disclosed
US-6896877-B2 Cosmetic compositions containing crosslinkable polymers REVLON CONSUMER PRODUCTS CORPORATION (US) 2005-05-24 US disclosed
US-20040105876-A1 Cosmetic compositions containing crosslinkable polymers REVLON CONSUMER PRODUCTS CORPORATION 2004-06-03 US disclosed
US-20030049215-A1 Method for improving integrity of cosmetic films REVLON CONSUMER PRODUCTS CORPORATION 2003-03-13 US disclosed
US-6485731-B2 CONDITIONING NAILS OR SURROUNDING CUTICLE WITH A COMPOSITION THAT HAS < 5% OF A FLUORINATED SILICONE OIL REVLON CONSUMER PRODUCTS CORPORATION 2002-11-26 US disclosed
US-20020136745-A1 Method for improving integrity of cosmetic films CITICORP USA, INC. 2002-09-26 US disclosed
US-6342209-B1 NAIL ENAMEL COMPOSITION CONTAINING AT LEAST ONE FILM FORMING POLYMER, AT LEAST ONE SOLVENT, PLASTICIZER FOR FILM FORMING POLYMER WHICH IS LOWER ALKYL ESTER OF MALIC ACID REVLON CONSUMER PRODUCTS CORPORATION 2002-01-29 US disclosed
US-20020004054-A1 Cosmetic compositions containing crosslinkable polymers REVLON CONSUMER PRODUCTS CORPORATION (US) 2002-01-10 US disclosed
US-6277358-B1 Cosmetic compositions containing crosslinkable polymers REVLON CONSUMER PRODUCTS CORPORATION 2001-08-21 US disclosed
US-5772988-A SOLVENT AND METHACRYLATE COPOLYMER FOR NAIL ENAMELS AND KITS REVLON CONSUMER PRODUCTS CORPORATION (US) 1998-06-30 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 (5 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-20040105876-A1 Cosmetic compositions containing crosslinkable polymers KRT18, CUTA, DSG1 TSHR 3865/4885ALDH1A1 1738/4885LMNA 601/4885
US-20030049215-A1 Method for improving integrity of cosmetic films CUTA, TYR, POLR1C TSHR 2795/4885ALDH1A1 2491/4885LMNA 778/4885
US-20020004054-A1 Cosmetic compositions containing crosslinkable polymers CUTA, KRT18, DSG1 TSHR 3868/4885ALDH1A1 1867/4885LMNA 610/4885
US-20060083701-A1 Nail enamel compositions, related methods, and a two component kit for painting the nails PIK3C3, POLR1C, PRKDC TSHR 4549/4885ALDH1A1 3385/4885LMNA 1685/4885
US-20020136745-A1 Method for improving integrity of cosmetic films CUTA, TYR, POLR1C TSHR 2795/4885ALDH1A1 2491/4885LMNA 778/4885

“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.