Sugi Predict

Sugi Predict / Compounds / SCHEMBL1649995

SCHEMBL1649995

SCHEMBL1649995

CCCCCCC(COC(C)=O)C(Cl)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ ZDHHC7 Q9NXF8 1/20 0.41
▸ FDPS P14324 1/20 0.41
▸ FAAH O00519 3/20 0.40
▸ PRKCA P17252 3/20 0.39
▸ GPR84 Q9NQS5 3/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ USP2 O75604 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ ZDHHC20 Q5W0Z9 1/20 0.37
▸ ZDHHC2 Q9UIJ5 1/20 0.37

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
SCHEMBL28060628 0.81 TSHR (0.54) ALDH1A1ZDHHC7FDPSGPR84FFAR1
SCHEMBL19025418 0.77 PRSS1 (0.51) ALDH1A1ZDHHC7FAAHPRKCAGPR84
SCHEMBL30522611 0.77 PRSS1 (0.51) ALDH1A1ZDHHC7FAAHPRKCAGPR84
SCHEMBL4582699 0.77 PRSS1 (0.51) ALDH1A1ZDHHC7FAAHPRKCAGPR84
SCHEMBL18856287 0.77 PRSS1 (0.51) ALDH1A1ZDHHC7FAAHPRKCAGPR84
SCHEMBL18723036 0.77 PRSS1 (0.51) ALDH1A1ZDHHC7FAAHPRKCAGPR84
SCHEMBL17676317 0.77 PRSS1 (0.51) ALDH1A1ZDHHC7FAAHPRKCAGPR84
SCHEMBL19025446 0.77 PRSS1 (0.51) ALDH1A1ZDHHC7FAAHPRKCAGPR84
SCHEMBL10847415 0.75 ALDH1A1 (0.55) ALDH1A1ZDHHC7GPR84FFAR1MAPT
SCHEMBL10849155 0.75 ALDH1A1 (0.55) ALDH1A1ZDHHC7GPR84FFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110794079-A Identification method of ephedra and aconitine preparation 刘圣梅 2020-02-14 — — CN claimed
CN-101732515-A Quality test method of Dianxianning tablets KUNMING ZHENHUA PHARMACEUTICAL 2010-06-16 — — CN claimed
WO-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 — — WO disclosed
CN-110794079-A Identification method of ephedra and aconitine preparation 刘圣梅 2020-02-14 — — CN disclosed
US-20190070129-A1 COMPOSITION COMPRISING PANDURATIN OR FINGERROOT (BOESENBERGIA PANDURATA) EXTRACT FOR TREATING, PREVENTING, OR AMELIORATING BONE LOSS DISEASE NEWTREE CO., LTD. (KR) 2019-03-07 — — US disclosed
CN-108697754-A A kind of composition containing Pan Duoting or finger root (the recessed lip ginger of panduriform) extract for treating, preventing or improving bone resorption disease 新树有限公司 2018-10-23 — — CN disclosed
US-9705097-B2 Metal complex and light-emitting device containing the metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 — — US disclosed
US-9359297-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2016-06-07 — — US disclosed
CN-102595893-B Spirolactam derivatives and uses of same LUNDBECK & CO AS H 2014-12-31 — — CN disclosed
US-20140374727-A1 METAL COMPLEX AND LIGHT-EMITTING DEVICE CONTAINING THE METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-25 — — US disclosed
US-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2014-07-10 — — US disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 — — EP disclosed
EP-0560147-A1 16-Membered macrolide derivative having sustained antibacterial activity in plasma, synthesic intermediate thereof and process for producing the same MEIJI SEIKA KAISHA LTD. (JP) 1993-09-15 — — EP disclosed
EP-0241797-B1 NOVEL SPERGUALIN-RELATED COMPOUNDS AND PROCESS FOR PRODUCING THE SAME MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1991-06-12 — — EP disclosed
US-4956504-A IMMUNOMODULATORS, ANTIBIOTICS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1990-09-11 — — US disclosed
EP-0241797-A2 Novel spergualin-related compounds and process for producing the same MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1987-10-21 — — EP disclosed
US-4539326-A REACTION OF KETOBENZOPYRAN CARBONITRILE AND KETODICARBOXYLIC ESTER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-09-03 — — US disclosed
EP-0102175-A1 5-Oxo-5H-(1)benzopyrano(2,3-b)pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-03-07 — — EP disclosed
US-4358602-A IMMUNOLOGY ENHANCER, ANTIINFLAMMATORY AGENT, ENZYME INHIBITOR Zaidan Hojin Biseibutsu Kagaku Kenkyu Kao (JP) 1982-11-09 — — US disclosed
US-4202824-A Physiologically active derivatives of esterastin ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-05-13 — — 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 (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-20190070129-A1 COMPOSITION COMPRISING PANDURATIN OR FINGERROOT (BOESENBERGIA PANDURATA) EXTRACT FOR TREATING, PREVENTING, OR AMELIORATING BONE LOSS DISEASE SOST, KLF10, BACH1 ALDH1A1 4342/4885ZDHHC7 868/4885FDPS 3939/4885
US-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D ALDH1A1 62/4885ZDHHC7 2966/4885FDPS 1390/4885

“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.