SCHEMBL2058650

SCHEMBL2058650

C=CC(=O)NCN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPSR1 Q6W5P4 1/20 0.42
TGM2 P21980 3/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL6853288 0.98 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1TDP1NPSR1
Hydrochloric Acid SCHEMBL31228331 0.96 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1TDP1NPSR1
SCHEMBL11045712 0.82 TSHR (0.48) ALDH1A1TSHRMAPK1TDP1NPSR1
SCHEMBL4420717 0.81 CA12 (0.54) ALDH1A1TSHRMAPK1TDP1NPSR1
SCHEMBL2733785 0.81 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1TDP1NPSR1
SCHEMBL294704 0.81 MEN1 (0.53) ALDH1A1TSHRMAPK1TDP1NPSR1
SCHEMBL664690 0.78 CA12 (0.53) ALDH1A1TSHRMAPK1TDP1NPSR1
SCHEMBL18231989 0.78 MAPK1 (0.48) ALDH1A1TSHRMAPK1TDP1CA12
SCHEMBL9000746 0.78 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL11421204 0.76 ALDH1A1 (0.50) ALDH1A1MAPK1TDP1NPSR1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8512757-B2 Micelles for drug delivery AGENCY FOR SCIENCE, TECHOLOGY AND RESEARCH (SG) 2013-08-20 US claimed
US-7968083-B2 Methods of manufacturing deodorants, and deodorants resulting thereof THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2011-06-28 US claimed
US-20100159019-A1 Micelles For Drug Delivery AGENCY OF SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-06-24 US claimed
EP-2035488-A1 MICELLES FOR DRUG DELIVERY Agency for Science, Technology and Research (SG) 2009-03-18 EP claimed
WO-2008004978-A1 MICELLES FOR DRUG DELIVERY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-01-10 WO claimed
US-20050232880-A1 Methods of manufacturing deodorants, and deodorants resulting thereof HONG KONG POLYTECHNIC UNIVERSITY, THE (CN) 2005-10-20 US claimed
US-9676979-B2 Liquid coagulant and tire puncture sealing material set THE YOKOHAMA RUBBER CO., LTD. (JP) 2017-06-13 US disclosed
US-20160108299-A1 LIQUID COAGULANT AND TIRE PUNCTURE SEALING MATERIAL SET THE YOKOHAMA RUBBER CO., LTD. (JP) 2016-04-21 US disclosed
US-8791175-B2 Liquid coagulant and tire puncture sealing material set THE YOKOHAMA RUBBER CO., LTD. (JP) 2014-07-29 US disclosed
US-8512757-B2 Micelles for drug delivery AGENCY FOR SCIENCE, TECHOLOGY AND RESEARCH (SG) 2013-08-20 US disclosed
US-20130172465-A1 LIQUID COAGULANT AND TIRE PUNCTURE SEALING MATERIAL SET THE YOKOHAMA RUBBER CO., LTD. (JP) 2013-07-04 US disclosed
US-20130072594-A1 LIQUID COAGULANT AND TIRE PUNCTURE SEALING MATERIAL SET THE YOKOHAMA RUBBER CO., LTD. (JP) 2013-03-21 US disclosed
US-7968083-B2 Methods of manufacturing deodorants, and deodorants resulting thereof THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2011-06-28 US disclosed
US-4431548-A SEWAGE TREATMENT; CO-OR TERPOLYMER HAVING A MONOMER SUCH AS THE SALT OF A DIALKYLAMINOALKYL ACRYLATE AND CHLOROACETIC ACID DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1984-02-14 US disclosed
US-4392917-A IMPROVING DRAINAGE IN PULPING AND PAPERMAKING DIAMOND SHAMROCK CORPORATION (US) 1983-07-12 US disclosed
US-4363886-A Preparation of amphoteric water-in-oil self-inverting polymer emulsion DIAMOND SHAMROCK CORPORATION (US) 1982-12-14 US disclosed
US-4330450-A FOR USE IN PAPER MAKING, SEWAGE TREATMENT, DRILLING MUDS, ENHANCED OIL RECOVERY DIAMOND SHAMROCK CORPORATION (US) 1982-05-18 US disclosed
EP-0039711-A1 AMPHOTERIC WATER-IN-OIL SELF-INVERTING POLYMER EMULSION DIAMOND SHAMROCK CORPORATION (US) 1981-11-18 EP disclosed
WO-1981001007-A1 AMPHOTERIC WATER-IN-OIL SELF-INVERTING POLYMER EMULSION DIAMOND SHAMROCK CORP (US) 1981-04-16 WO disclosed
US-4096133-A Method for quaternizing polymers of water-soluble aminovinyl monomers THE DOW CHEMICAL COMPANY (US) 1978-06-20 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 (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-20100159019-A1 Micelles For Drug Delivery ABCC1, MTDH, CHMP4B ALDH1A1 2115/4885TSHR 3617/4885MAPK1 1560/4885

“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.