SCHEMBL4395085

SCHEMBL4395085

O=CNCCC1=CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
ALOX15 P16050 2/20 0.56
TAAR1 Q96RJ0 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
EPHX1 P07099 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL20824987 0.81 ALDH1A1 (0.42) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL825694 0.79 ALDH1A1 (0.47) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL5918017 0.77 ALDH1A1 (0.46) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL5918020 0.77 ALDH1A1 (0.46) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL5918013 0.77 ALDH1A1 (0.46) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL13195715 0.76 ALDH1A1 (0.58) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL15894023 0.76 ALDH1A1 (0.57) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL826064 0.76 ALDH1A1 (0.45) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL629235 0.75 ALDH1A1 (0.61) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL6861550 0.74 ALDH1A1 (0.56) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US claimed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP claimed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US claimed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO claimed
CN-109553641-B Novel pincer-like metal complex and application thereof 中国科学院上海有机化学研究所 2023-05-12 CN disclosed
CN-109553641-A Novel pincer metal complex and its application 中国科学院上海有机化学研究所 2019-04-02 CN disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP disclosed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed
EP-0440887-B1 Improvement in the total synthesis of Erbstatin analogs ERBA CARLO SPA (IT) 1994-01-26 EP disclosed
US-5130472-A TOTAL SYNTHESIS OF ERBSTATIN ANALOGS FARMITALIA CARLO ERBA S.R.L. (IT) 1992-07-14 US disclosed
EP-0440887-A1 Improvement in the total synthesis of Erbstatin analogs FARMITALIA CARLO ERBA S.r.l. (IT) 1991-08-14 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 (3 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 ALDH1A1 3776/4885ALOX15 928/4885TAAR1 4728/4885
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 ALDH1A1 451/4885ALOX15 1508/4885TAAR1 378/4885
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA ALDH1A1 1152/4885ALOX15 1634/4885TAAR1 4615/4885

“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.