Alcohol

Alcohol

SCHEMBL5873077

CCO.O=C(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.59
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.50
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CES2 O00748 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 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
SCHEMBL10613860 0.90 ALDH1A1 (0.68) CTSDALDH1A1KDM4EMAPTTDP1
Alcohol SCHEMBL28827415 0.87 TSHR (0.62) CTSDALDH1A1KDM4EMAPTTDP1
Alcohol SCHEMBL6835144 0.86 CTSD (0.60) CTSDALDH1A1KDM4EMAPTTDP1
Alcohol SCHEMBL27548373 0.84 HSD17B10 (0.58) CTSDALDH1A1TDP1TSHRMEN1
SCHEMBL10256765 0.83 ALDH1A1 (0.59) CTSDALDH1A1KDM4EMAPTTDP1
Alcohol SCHEMBL28128759 0.83 CTSD (0.53) CTSDALDH1A1KDM4EMAPTTDP1
SCHEMBL9764926 0.82 ALDH1A1 (0.63) CTSDALDH1A1KDM4EMAPTTDP1
SCHEMBL2707041 0.82 ALDH1A1 (0.56) CTSDALDH1A1KDM4EMAPTTSHR
SCHEMBL1615014 0.81 CES2 (0.69) CTSDALDH1A1KDM4EMAPTTDP1
SCHEMBL3167978 0.81 CTSD (0.59) CTSDALDH1A1KDM4EMAPTTDP1

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-7019104-B1 Diamine novel acid dianhydride and novel polyimide composition formed therefrom KANEKA CORPORATION (JP) 2006-03-28 US disclosed
US-6689899-B2 HYDROGENATION OF THE CORRESPONDING DINITRO COMPOUNDS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-02-10 US disclosed
US-20020019558-A1 Diamine and acid anhydride KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-02-14 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-20020019558-A1 Diamine and acid anhydride CA1, ASIC1, CA4 CTSD 1459/4885ALDH1A1 116/4885KDM4E 1677/4885

“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.