Sugi Predict

Sugi Predict / Compounds / Hexane

Hexane

Hexane

SCHEMBL514605

CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.78
▸ LMNA P02545 1/20 0.78
▸ HSD17B10 Q99714 1/20 0.78
▸ FAAH O00519 3/20 0.50
▸ TSHR P16473 3/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NAAA Q02083 1/20 0.44
▸ DGKA P23743 1/20 0.44
▸ CES2 O00748 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MGAM O43451 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ SOAT1 P35610 1/20 0.43

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
Hexane SCHEMBL10002813 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL318366 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL15769141 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL57827 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL301207 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL637278 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL4960168 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL94686 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL6720430 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL4897173 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR

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 132 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023234426-A1 ANTIBODY-MULTIDRUG CONJUGATE ＵＢＥ株式会社 2023-12-07 — — WO disclosed
WO-2023234427-A1 ANTIBODY-MULTIDRUG CONJUGATE PRECURSOR AND SYNTHETIC INTERMEDIATE THEREOF ＵＢＥ株式会社 2023-12-07 — — WO disclosed
US-11744824-B2 2-amino-3-carbonyl imidazopyridine and pyrazolopyridine compounds 1ST Biotherapeutics, Inc. (KR) 2023-09-05 — — US disclosed
WO-2023163227-A1 ANTIBODY-DRUG CONJUGATE ＵＢＥ株式会社 2023-08-31 — — WO disclosed
WO-2023163234-A1 ANTIBODY-DRUG CONJUGATE PRECURSOR AND INTERMEDIATE FOR SYNTHESIS THEREOF ＵＢＥ株式会社 2023-08-31 — — WO disclosed
EP-4214207-A1 2-AMINO-3-CARBONYL IMIDAZOPYRIDINE AND PYRAZOLOPYRIDINE COMPOUNDS 1st Biotherapeutics, Inc. (KR) 2023-07-26 — — EP disclosed
CN-116457355-A 2-amino-3-carbonyl imidazopyridines and pyrazolopyridines compounds 第一生物治疗股份有限公司 2023-07-18 — — CN disclosed
US-20220087985-A1 2-AMINO-3-CARBONYL IMIDAZOPYRIDINE AND PYRAZOLOPYRIDINE COMPOUNDS 1ST Biotherapeutics, Inc. (KR) 2022-03-24 — — US disclosed
WO-2017132775-A1 NOVEL COMPOSITIONS AND METHODS FOR THE TREATMENT OF LEIOMYOMA VITEAVA PHARMACEUTICALS INC. (CA) 2017-08-10 — — WO disclosed
EP-2518056-B1 SEVEN-MEMBERED RING COMPOUND AND PHARMACEUTICAL USE THEREFOR DAIICHI SANKYO CO LTD (JP) 2015-07-29 — — EP disclosed
CN-1178524-A Di-substituted 1, 4 -piperidine esters and amides having 5-HT4 antagonistic activity BOEHRINGER INGELHEIM ITALIA (IT) 1998-04-08 — — CN disclosed
US-5686465-A PROVIDE ANTIESTROGENIC EFFECTS; USEFUL IN TREATMENT OF BREAST CANCER ENDORECHERCHE INC. (CA) 1997-11-11 — — US disclosed
CN-1148847-A Derivatives of aminosulfonic acids utilization of the same in the synthesis of pseudopeptides and process for their preparation PHARMACIA SPA (IT) 1997-04-30 — — CN disclosed
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 — — US disclosed
US-5395842-A Inhibitors of sex steroids ENDORECHERCHE INC. (CA) 1995-03-07 — — US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 — — US disclosed
EP-0615448-A1 SEX STEROID ACTIVITY INHIBITORS ENDORECHERCHE INC. (CA) 1994-09-21 — — EP disclosed
WO-1993010741-A2 SEX STEROID ACTIVITY INHIBITORS ENDORECHERCHE INC. (CA) 1993-06-10 — — WO disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 — — EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 — — WO 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 (2 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-11744824-B2 2-amino-3-carbonyl imidazopyridine and pyrazolopyridine compounds NLRP3, NLRP1, KCNJ2 ALDH1A1 1057/4885LMNA 4220/4885HSD17B10 3871/4885
US-20220087985-A1 2-AMINO-3-CARBONYL IMIDAZOPYRIDINE AND PYRAZOLOPYRIDINE COMPOUNDS NLRP3, NLRP1, KCNJ2 ALDH1A1 1057/4885LMNA 4220/4885HSD17B10 3871/4885

“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.