SCHEMBL1132686

SCHEMBL1132686

CCCCCC(N)(CO)CO

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 6/20 0.55
S1PR1 P21453 3/20 0.55
S1PR4 O95977 2/20 0.55
S1PR3 Q99500 2/20 0.55
S1PR5 Q9H228 2/20 0.55
SGPL1 O95470 1/20 0.55
GPR183 P32249 1/20 0.55
CERS2 Q96G23 1/20 0.55
FDPS P14324 2/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMPD1 P17405 4/20 0.45
SPHK2 Q9NRA0 2/20 0.42
SPHK1 Q9NYA1 1/20 0.42
ENPP2 Q13822 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
S1PR2 O95136 1/20 0.40

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
SCHEMBL1170551 0.97 TNNC1 (0.58) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL1117529 0.97 TNNC1 (0.58) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL8498308 0.97 TNNC1 (0.58) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL1170886 0.97 TNNC1 (0.58) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL6256417 0.97 TNNC1 (0.58) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL1170609 0.97 TNNC1 (0.58) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL1117911 0.97 TNNC1 (0.58) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL775505 0.97 TNNC1 (0.58) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL1132557 0.97 TNNC1 (0.58) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL1117584 0.97 TNNC1 (0.58) TNNC1S1PR1S1PR4S1PR3S1PR5

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542277-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture ANGUS CHEMICAL COMPANY (US) 2023-01-03 US disclosed
EP-3121162-B1 PROCESS FOR PREPARING NITRATED HYDROCARBONS AND THEIR DERIVATIVES ANGUS CHEMICAL (US) 2021-05-26 EP disclosed
US-20190315768-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ADVANCION CORPORATION 2019-10-17 US disclosed
US-10377771-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture ANGUS CHEMICAL COMPANY (US) 2019-08-13 US disclosed
US-20180127435-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ADVANCION CORPORATION 2018-05-10 US disclosed
US-9890177-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture ANGUS CHEMICAL COMPANY (US) 2018-02-13 US disclosed
EP-3121162-A1 NITRATED HYDROCARBONS AND DERIVATIVES ANGUS CHEMICAL COMPANY (US) 2017-01-25 EP disclosed
EP-2280927-B1 PROCESSES FOR THE MANUFACTURE OF NITROBUTANE AND ITS DERIVATIVES ANGUS CHEMICAL (US) 2016-11-02 EP disclosed
US-20160039843-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ADVANCION CORPORATION 2016-02-11 US disclosed
US-9187436-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture ANGUS CHEMICAL COMPANY (US) 2015-11-17 US disclosed
EP-1812381-B1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO KK (JP) 2011-02-16 EP disclosed
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2011-02-03 US disclosed
US-7579066-B2 Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth) acrylate polymer and its use SHOWA DENKO K.K. (JP) 2009-08-25 US disclosed
US-20080132597-A1 Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use RESONAC CORPORATION (JP) 2008-06-05 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-20180127435-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 TNNC1 788/4885S1PR1 3544/4885S1PR4 3461/4885
US-11542277-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 TNNC1 788/4885S1PR1 3544/4885S1PR4 3461/4885
US-20190315768-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 TNNC1 788/4885S1PR1 3544/4885S1PR4 3461/4885
US-20080132597-A1 Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use ACAD9, ELOVL6, ELOVL5 TNNC1 3600/4885S1PR1 4688/4885S1PR4 4796/4885
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 TNNC1 788/4885S1PR1 3544/4885S1PR4 3461/4885
US-20160039843-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 TNNC1 788/4885S1PR1 3544/4885S1PR4 3461/4885
US-10377771-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 TNNC1 788/4885S1PR1 3544/4885S1PR4 3461/4885

“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.