SCHEMBL4100342

SCHEMBL4100342

CC[C@H](C)CCCCC=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
FAAH O00519 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1410631 1.00 TSHR (0.48) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL17143629 1.00 TSHR (0.48) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL294760 0.98 TSHR (0.52) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL15326958 0.98 TSHR (0.52) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL1782642 0.98 TSHR (0.52) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL23803614 0.98 TSHR (0.52) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL23803613 0.98 TSHR (0.52) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL23803605 0.98 TSHR (0.52) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL15326982 0.98 TSHR (0.52) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL15326984 0.98 TSHR (0.52) TSHRFAAHTRPV1HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711040-B2 Low substituted polymyxins and compositions thereof XELLIA PHARMACEUTICALS APS (DK) 2020-07-14 US claimed
US-10640536-B2 Polymyxins, compositions, methods of making and methods of use XELLIA PHARMACEUTICALS APS (DK) 2020-05-05 US claimed
EP-3166960-B1 LOW SUBSTITUTED POLYMYXINS AND COMPOSITIONS THEREOF XELLIA PHARMACEUTICALS APS (DK) 2019-08-07 EP claimed
CN-104918951-B Polymyxins, composition, preparation method and application method 埃克斯利亚制药有限公司 2018-03-30 CN claimed
EP-2943503-B1 POLYMYXINS, COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE XELLIA PHARMACEUTICALS APS (DK) 2017-08-23 EP claimed
US-20170218024-A1 LOW SUBSTITUTED POLYMYXINS AND COMPOSITIONS THEREOF XELLIA PHARMACEUTICALS APS (DK) 2017-08-03 US claimed
EP-3166960-A1 LOW SUBSTITUTED POLYMYXINS AND COMPOSITIONS THEREOF Xellia Pharmaceuticals ApS (DK) 2017-05-17 EP claimed
WO-2016005223-A1 LOW SUBSTITUTED POLYMYXINS AND COMPOSITIONS THEREOF XELLIA PHARMACEUTICALS APS (DK) 2016-01-14 WO claimed
US-20160002296-A1 POLYMYXINS, COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE XELLIA PHARMACEUTICALS APS (DK) 2016-01-07 US claimed
EP-2943503-A1 POLYMYXINS, COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE Xellia Pharmaceuticals ApS (DK) 2015-11-18 EP claimed
CN-104918951-A POLYMYXINS, COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE XELLIA PHARMACEUTICALS APS 2015-09-16 CN claimed
WO-2014108469-A1 POLYMYXINS, COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE XELLIA PHARMACEUTICALS APS (DK) 2014-07-17 WO claimed
US-20090215677-A1 POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS LTD. (FI) 2009-08-27 US claimed
US-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2023-10-12 US disclosed
US-20230131376-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA UNIVERSITY OF NOTRE DAME DU LAC 2023-04-27 US disclosed
CN-114790226-A Antibacterial peptide and preparation method thereof 正大天晴药业集团股份有限公司 2022-07-26 CN disclosed
WO-2012168820-A1 POLYMYXIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-12-13 WO disclosed
US-8329645-B2 Polymyxin derivatives and uses thereof NORTHERN ANTIBIOTICS LTD. (FI) 2012-12-11 US disclosed
US-8198058-B2 Such as ethanol, methanol, and diesel fuels via fermenting organic waste material, converting biogas to synthesis gas comprising carbon monoxide and hydrogen by reforming and oxidation, contacting synthesis gas with catalyst to produce alcohol mixture, then purifying TRUBLU MANAGEMENT LLC 2012-06-12 US disclosed
US-20090215677-A1 POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS LTD. (FI) 2009-08-27 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 (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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 TSHR 1066/4885FAAH 4346/4885TRPV1 3689/4885
US-20090215677-A1 POLYMYXIN DERIVATIVES AND USES THEREOF C5, C9, C3AR1 TSHR 1242/4885FAAH 4373/4885TRPV1 505/4885
US-20160002296-A1 POLYMYXINS, COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE C5, SGMS1, SGMS2 TSHR 2808/4885FAAH 1286/4885TRPV1 2893/4885
US-20230131376-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA TLR4, TLR5, TLR1 TSHR 4060/4885FAAH 968/4885TRPV1 2668/4885
US-10640536-B2 Polymyxins, compositions, methods of making and methods of use C5, HRH3, SGMS1 TSHR 2796/4885FAAH 1266/4885TRPV1 2910/4885
US-20170218024-A1 LOW SUBSTITUTED POLYMYXINS AND COMPOSITIONS THEREOF TLR3, TLR4, TLR5 TSHR 4714/4885FAAH 4427/4885TRPV1 1780/4885
US-10711040-B2 Low substituted polymyxins and compositions thereof TLR3, TLR4, TLR5 TSHR 4714/4885FAAH 4427/4885TRPV1 1780/4885

“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.