Sugi Predict

Sugi Predict / Compounds / SCHEMBL5419871

SCHEMBL5419871

SCHEMBL5419871

O=C([O-])C1CCCCC1.O=C([O-])C1CCCCC1.O=C([O-])C1CCCCC1.[Al+3]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.55
▸ CES1 P23141 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ TSHR P16473 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CA12 O43570 4/20 0.44
▸ CA1 P00915 4/20 0.44
▸ CA2 P00918 4/20 0.44
▸ CA9 Q16790 4/20 0.44
▸ HSD11B1 P28845 2/20 0.39
▸ EPHX1 P07099 6/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HSD11B2 P80365 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL6913757 1.00 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6916795 1.00 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL11654657 0.97 CES2 (0.52) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6914726 0.97 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL23530251 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL8374916 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6908797 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL4439197 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL11608975 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL5079485 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070152208-A1 Optimised method for preparing anellated, polycyclic and polyheterocyclic aromatic compounds FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2007-07-05 — — US disclosed
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 — — US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 — — US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 — — US disclosed
EP-0680471-B1 5-SUBSTITUTED 4-METHYL-5H-INDENO 1,2-b]PYRIDINES, THEIR PREPARATION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS BASF AG (DE) 1998-06-10 — — EP disclosed
US-5637554-A 5-substituted 4-methyl-5H-indeno[3,2-b]pyridines and 9-substituted 1-methyl-9H-indeno[2,3-c]pyridines, their preparation and use as herbicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1997-06-10 — — US disclosed
EP-0680471-A1 5-SUBSTITUTED 4-METHYL-5H-INDENO 1,2-b]PYRIDINES, THEIR PREPARATION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1995-11-08 — — EP disclosed
WO-1994017044-A1 5-SUBSTITUTED 4-METHYL-5H-INDENO[1,2-b]PYRIDINES AND 9-SUBSTITUTED 1-METHYL-IH-INDENO[2,1-c]PYRIDINES, THEIR PREPARATION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1994-08-04 — — WO disclosed
US-5175167-A Fungicides BASF AKTIENGESELLSCHAFT (DE) 1992-12-29 — — US disclosed
EP-0129152-B1 PROCESS FOR THE PREPARATION OF TRIAZOLYL ALCOHOLS BASF Aktiengesellschaft (DE) 1990-10-17 — — EP disclosed
US-4611072-A Heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1986-09-09 — — US disclosed
EP-0159586-A2 Azolyl derivatives, process for their preparation and fungicides containing them BASF Aktiengesellschaft (DE) 1985-10-30 — — EP disclosed
US-4536779-A PHENOLSULFONYL SALT AS DEVELOPER FOR COLOR FORMER CIBA-GEIGY CORPORATION (US) 1985-08-20 — — US disclosed
EP-0129152-A2 Process for the preparation of triazolyl alcohols BASF Aktiengesellschaft (DE) 1984-12-27 — — EP disclosed
EP-0112291-A2 Heat-sensitive registration material CIBA-GEIGY AG (CH) 1984-06-27 — — EP disclosed
US-4418072-A Diastereomeric 1-(4-chlorophenoxy)-1-(1-imidazolyl)-3,3-dimethyl-2-butanol compounds and their antimycotic use BAYER AKTIENGESELLSCHAFT (DE) 1983-11-29 — — US disclosed
EP-0001414-B1 TRIAZOLYL-O,N-ACETALS DIASTEREOMERS OF FORM A AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1981-12-30 — — EP disclosed
US-4232033-A Combating fungi with diastereomeric form A of 1-phenoxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-ols BAYER AKTIENGESELLSCHAFT (DE) 1980-11-04 — — US disclosed
EP-0011191-A1 1-(4-Chlorophenoxy)-1-(1-imidazolyl)-3,3-dimethyl-2-butanol diastereoisomers, their preparation and use in medicaments BAYER AG (DE) 1980-05-28 — — EP disclosed
EP-0001414-A1 Triazolyl-O,N-acetals diastereomers of form A and their use as fungicides BAYER AG (DE) 1979-04-18 — — 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-20070152208-A1 Optimised method for preparing anellated, polycyclic and polyheterocyclic aromatic compounds ALKBH3, DHPS, PAH CES2 2830/4885CES1 2631/4885HDAC8 1866/4885

“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.