Sugi Predict

Sugi Predict / Compounds / SCHEMBL486023

SCHEMBL486023

SCHEMBL486023

CC(C)(C)OC(=O)Oc1cc[c]cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 8/20 0.62
▸ KDM1A O60341 1/20 0.46
▸ CA2 P00918 1/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPKAPK2 P49137 2/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ OGA O60502 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7705585 0.90 ELANE (0.60) ELANEKDM1ACA2MEN1KMT2A
SCHEMBL4061370 0.86 ELANE (0.81) ELANEKDM1ACA2MEN1KMT2A
SCHEMBL11771781 0.80 ELANE (0.67) ELANEKDM1ACA2KMT2AMAPT
SCHEMBL4059798 0.80 ELANE (0.72) ELANEKDM1ACA2MEN1KMT2A
SCHEMBL82142 0.80 ELANE (0.67) ELANEKDM1ACA2KMT2AMAPT
SCHEMBL14814745 0.79 ELANE (0.51) ELANEKDM1ACA2MAPKAPK2OGA
SCHEMBL7195555 0.78 ELANE (0.70) ELANEKDM1ACA2MEN1KMT2A
SCHEMBL4057059 0.78 ELANE (0.70) ELANEKDM1ACA2MEN1KMT2A
SCHEMBL2236908 0.78 KMT2A (0.44) ELANECA2MEN1KMT2ARAB9A
SCHEMBL8040798 0.78 ELANE (0.50) ELANEKDM1ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306122-A1 SUBSTITUTED TETRAHYDROPYRROLOQUINOLINE DERIVATIVES AS KINASE MODULATORS, ESPECIALLY OF TYROSINE AND RAF KINASES MERCK PATENT GMBH (DE) 2009-12-10 — — US claimed
EP-1856116-A1 SUBSTITUTED TETRAHYDROPYRROLOQUINOLINE DERIVATIVES AS KINASE MODULATORS, ESPECIALLY TYROSINE KINASE AND RAF KINASE MODULATORS Merck Patent GmbH (DE) 2007-11-21 — — EP claimed
WO-2006094600-A1 SUBSTITUTED TETRAHYDROPYRROLOQUINOLINE DERIVATIVES AS KINASE MODULATORS, ESPECIALLY TYROSINE KINASE AND RAF KINASE MODULATORS MERCK PATENT GMBH (DE) 2006-09-14 — — WO claimed
US-5908730-A Chemical-sensitization photoresist composition TOKYO OHKA KOGYO CO., LTD. (JP) 1999-06-01 — — US claimed
US-5731126-A BLEND OF POLYSILOXANE AND PHOTOACID GENERATOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-03-24 — — US claimed
US-5569784-A FINE PATTERN; PREVENTS POST-EXPOSURE DELAY SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-10-29 — — US claimed
US-5294737-A Hydrolysis, cyclization, condensation THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) 1994-03-15 — — US claimed
US-5225528-A Controlling premature labor MERCK & CO., INC. (US) 1993-07-06 — — US claimed
EP-0444898-A1 Cyclic hexapeptide oxytocin antagonists MERCK & CO. INC. (US) 1991-09-04 — — EP claimed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 — — US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 — — US disclosed
US-20150125667-A1 FORMING CONDUCTIVE METAL PATTERNS WITH REACTIVE POLYMERS BANK OF AMERICA, N.A., AS AGENT 2015-05-07 — — US disclosed
EP-2145884-B1 INDOLEDIONE DERIVATIVE MSD KK (JP) 2014-08-06 — — EP disclosed
US-8106086-B2 Indoledione derivative MSD K.K. (JP) 2012-01-31 — — US disclosed
US-5064746-A RADIATION-SENSITIVE MIXTURE FOR PHOTOSENSITIVE COATING MATERIALS AND THE PRODUCTION OF RELIEF PATTERNS AND RELIEF IMAGES BASF AKTIENGESELLSCHAFT (DE) 1991-11-12 — — US disclosed
EP-0444898-A1 Cyclic hexapeptide oxytocin antagonists MERCK & CO. INC. (US) 1991-09-04 — — EP disclosed
US-4883740-A RELIEF PATTERNS AND IMAGES BASF AKTIENGESELLSCHAFT (DE) 1989-11-28 — — US disclosed
US-4288364-A REACTING A 3-/2-HYDROXYIMINOACETYLAMINO/-2-OXOAZETIDINE WITH AN ORGANIC CARBONATE OR ACYL HALIDE CIBA-GEIGY CORPORATION (US) 1981-09-08 — — US disclosed
EP-0005507-A1 Process for the fragmentation of 3-(2-hydroxyimino-acetylamino)-2-oxo azetidin compounds and compounds obtained thereby CIBA-GEIGY AG (CH) 1979-11-28 — — EP disclosed
US-3933806-A Cephalosporin michael adducts ELI LILLY AND COMPANY (US) 1976-01-20 — — 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-20090306122-A1 SUBSTITUTED TETRAHYDROPYRROLOQUINOLINE DERIVATIVES AS KINASE MODULATORS, ESPECIALLY OF TYROSINE AND RAF KINASES TIE1, FER, RET ELANE 4544/4885KDM1A 278/4885CA2 2730/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX ELANE 4202/4885KDM1A 1434/4885CA2 86/4885

“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.