SCHEMBL1920807

SCHEMBL1920807

O=[C]C1CCCCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
EPHX1 P07099 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3022777 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL3036858 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL59917 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL95619 1.00
SCHEMBL3027678 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL1920210 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL3034311 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL26096 1.00
SCHEMBL329468 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL1218164 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140162937-A1 POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS LTD. (FI) 2014-06-12 US claimed
US-8680234-B2 Polymyxin derivatives and uses thereof NORTHERN ANTIBIOTICS OY (FI) 2014-03-25 US claimed
US-8329645-B2 Polymyxin derivatives and uses thereof NORTHERN ANTIBIOTICS LTD. (FI) 2012-12-11 US claimed
US-20100292136-A1 POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS OY (FI) 2010-11-18 US claimed
US-20090215677-A1 POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS LTD. (FI) 2009-08-27 US claimed
EP-2478981-B1 SILVER-(CONJUGATED COMPOUND) COMPLEX SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed
US-20200188476-A1 ANTI-MICROBIAL AGENT-POLYMER CONJUGATES AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2020-06-18 US disclosed
US-10478385-B2 Dental adhesive material kit KURARAY NORITAKE DENTAL INC. (JP) 2019-11-19 US disclosed
US-20190000722-A1 DENTAL ADHESIVE MATERIAL KIT KURARAY NORITAKE DENTAL INC. (JP) 2019-01-03 US disclosed
WO-2018195078-A1 ANTI-MICROBIAL AGENT-POLYMER CONJUGATES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-10-25 WO disclosed
EP-3391871-A1 DENTAL ADHESIVE MATERIAL KIT Kuraray Noritake Dental Inc. (JP) 2018-10-24 EP disclosed
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
US-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use BAYER CROPSCIENCE GMBH (DE) 2005-11-17 US disclosed
EP-0914307-B1 ENZYMATICALLY REMOVABLE LINKERS FOR SOLID PHASE SYNTHESIS BASF AG (DE) 2004-09-15 EP disclosed
US-6271345-B1 FOR SYNTHESIS OF ORGANIC COMPOUNDS, COMBINATORIAL CHEMISTRY BASF AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed
EP-0914307-A1 ENZYMATICALLY REMOVABLE LINKERS FOR SOLID PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1999-05-12 EP disclosed
WO-1998001406-A1 ENZYMATICALLY REMOVABLE LINKERS FOR SOLID PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1998-01-15 WO disclosed
US-5658926-A ANTICOAGULANTS, ANTIHISTAMINES, ANTIARRHYTHMIC, CARTIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
US-5506239-A Carbostyril derivative and platelets aggregation inhibitory agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed
EP-0569592-A1 CARBOSTYRIL DERIVATIVE AND PLATELET AGGLUTINATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-11-18 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 (7 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-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use QSOX1, CYC1, CBR3 ALDH1A1 1058/4885CES2 458/4885CES1 333/4885
US-20090215677-A1 POLYMYXIN DERIVATIVES AND USES THEREOF C5, C9, C3AR1 ALDH1A1 4876/4885CES2 4709/4885CES1 3391/4885
US-10478385-B2 Dental adhesive material kit VCL, MVD, MAT2B ALDH1A1 180/4885CES2 3510/4885CES1 4716/4885
US-20140162937-A1 POLYMYXIN DERIVATIVES AND USES THEREOF SLC11A2, TLR2, TLR5 ALDH1A1 4808/4885CES2 4455/4885CES1 3527/4885
US-20200188476-A1 ANTI-MICROBIAL AGENT-POLYMER CONJUGATES AND METHODS OF USE THEREOF DDOST, MGAM, MSN ALDH1A1 4571/4885CES2 3268/4885CES1 3912/4885
US-20100292136-A1 POLYMYXIN DERIVATIVES AND USES THEREOF C5, C9, C3AR1 ALDH1A1 4876/4885CES2 4709/4885CES1 3391/4885
US-20190000722-A1 DENTAL ADHESIVE MATERIAL KIT VCL, MVD, MAT2B ALDH1A1 180/4885CES2 3510/4885CES1 4716/4885

“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.