Phenol

Phenol

SCHEMBL6882765

CCCCNCCCC.Oc1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.55
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
GLA P06280 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA9 Q16790 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
Dipentylamine SCHEMBL11386058 0.94 SIGMAR1 (0.63) SIGMAR1DRD2DRD4DRD3TSHR
Phenol SCHEMBL27378275 0.86 CA12 (0.52) SIGMAR1DRD2DRD4DRD3CA12
Phenol SCHEMBL27585794 0.85 L3MBTL1 (0.48) SIGMAR1CA12CA1CA2GLA
Phenol SCHEMBL27513359 0.84 CA12 (0.61) DRD2DRD3CA12CA1CA2
Phenol SCHEMBL28185432 0.84 CA12 (0.61) DRD2DRD3CA12CA1CA2
Phenol SCHEMBL27577782 0.84 CA12 (0.61) DRD2DRD3CA12CA1CA2
Biphenyl SCHEMBL7742046 0.82 SIGMAR1 (0.59) SIGMAR1DRD2DRD4DRD3TSHR
Octane SCHEMBL8547977 0.81 CA12 (0.58) DRD2DRD3CA12CA1CA2
Nonane SCHEMBL10782923 0.81 CA12 (0.58) DRD2DRD3CA12CA1CA2
Hexadecane SCHEMBL28418477 0.81 CA12 (0.58) DRD2DRD3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10114729-A None JP disclosed
JP-3063250-A None JP disclosed
US-20190177632-A1 FUEL COMPOSITIONS CONTAINING DETERGENTS DERIVED FROM ETHYLENE-ALPHA OLEFIN COPOLYMERS AFTON CHEMICAL CORPORATION (US) 2019-06-13 US disclosed
EP-1958990-B1 Colorant compounds XEROX CORP (US) 2018-05-30 EP disclosed
CN-105102422-A Method for producing isocyanate ASAHI KASEI CHEMICALS CORP 2015-11-25 CN disclosed
US-20040242891-A1 Production of keto acids CAMPBELL JONATHAN (GB) 2004-12-02 US disclosed
EP-1442009-A1 PRODUCTION OF KETO ACIDS Ciba SC Holding AG (CH) 2004-08-04 EP disclosed
WO-2003037846-A1 PRODUCTION OF KETO ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-08 WO disclosed
EP-0853079-B1 Production of keto acids CIBA SC HOLDING AG (CH) 2002-06-05 EP disclosed
US-5925787-A Production of keto acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-07-20 US disclosed
EP-0853079-A1 Production of keto acids Ciba SC Holding AG (CH) 1998-07-15 EP disclosed
JP-H10114729-A PRODUCTION OF AMINOPHENOL CIBA SPECIALTY CHEM HOLDING INC 1998-05-06 JP disclosed
EP-0427572-B1 Process for preparing N-alkylaminophenols and N,N-dialkylaminophenols SUMITOMO CHEMICAL CO (JP) 1994-04-27 EP disclosed
EP-0411817-B1 Process for preparing N-alkyl-substituted aminophenols SUMITOMO CHEMICAL CO (JP) 1994-04-06 EP disclosed
US-5276193-A Reductive alkylation, addition of carboxylic acid to prevent by-product formation SUMITOMO CHEMICAL CO., LTD. (JP) 1994-01-04 US disclosed
US-5202485-A Catalytic reductive alkylation of aminophenol using aldehyde or ketone SUMITOMO CHEMICAL CO., LTD. (JP) 1993-04-13 US disclosed
EP-0427572-A1 Process for preparing N-alkylaminophenols and N,N-dialkylaminophenols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-15 EP disclosed
JP-H0363250-A PRODUCTION OF N,N-DIBUTYLAMINOPHENOLS SUMITOMO CHEM CO LTD 1991-03-19 JP disclosed
EP-0411817-A2 Process for preparing N-alkyl-substituted aminophenols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-02-06 EP 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-20040242891-A1 Production of keto acids PKLR, KHK, ME1 SIGMAR1 2983/4885DRD2 2918/4885DRD4 2553/4885

“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.