SCHEMBL1117440

SCHEMBL1117440

CCCCCCCCCCCC(N)CO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.59
LMNA P02545 2/20 0.59
SPHK1 Q9NYA1 2/20 0.59
TP53 P04637 2/20 0.59
GMNN O75496 1/20 0.59
POLB P06746 1/20 0.59
THPO P40225 1/20 0.59
MTOR P42345 1/20 0.59
BLM P54132 1/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
CETP P11597 1/20 0.59
HTT P42858 1/20 0.59
UBE2N P61088 1/20 0.59
PLA2G1B P04054 1/20 0.54
PLA2G2A P14555 1/20 0.54
S1PR2 O95136 5/20 0.53
S1PR1 P21453 5/20 0.53

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
SCHEMBL16390229 1.00 CYP2D6 (0.59) CYP2D6LMNASPHK1TP53GMNN
SCHEMBL16390346 1.00 CYP2D6 (0.59) CYP2D6LMNASPHK1TP53GMNN
SCHEMBL16390173 1.00 CYP2D6 (0.59) CYP2D6LMNASPHK1TP53GMNN
SCHEMBL16390457 1.00 CYP2D6 (0.59) CYP2D6LMNASPHK1TP53GMNN
SCHEMBL21660301 1.00 CYP2D6 (0.59) CYP2D6LMNASPHK1TP53GMNN
SCHEMBL16390061 1.00 CYP2D6 (0.59) CYP2D6LMNASPHK1TP53GMNN
SCHEMBL16071037 1.00 CYP2D6 (0.59) CYP2D6LMNASPHK1TP53GMNN
SCHEMBL1117453 1.00 CYP2D6 (0.59) CYP2D6LMNASPHK1TP53GMNN
SCHEMBL16390540 1.00 CYP2D6 (0.59) CYP2D6LMNASPHK1TP53GMNN
SCHEMBL1117447 1.00 CYP2D6 (0.59) CYP2D6LMNASPHK1TP53GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3121162-A1 NITRATED HYDROCARBONS AND DERIVATIVES ANGUS CHEMICAL COMPANY (US) 2017-01-25 EP claimed
US-20160039843-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ADVANCION CORPORATION 2016-02-11 US claimed
CN-101998948-A Nitrated hydrocarbons, derivatives and processes for their manufacture DOW GLOBAL TECHNOLOGIES INCANGUS CHEMICAL COMPANY 2011-03-30 CN claimed
EP-2280927-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2011-02-09 EP claimed
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2011-02-03 US claimed
WO-2009129097-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2009-10-22 WO claimed
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-10662397-B2 Aqueous formulations, their manufacture, and their use in hard surface cleaning BASF SE (DE) 2020-05-26 US disclosed
US-20190315768-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ADVANCION CORPORATION 2019-10-17 US disclosed
CN-110141678-A A kind of alginates physical therapy liquid dressing and preparation method thereof 广东泰宝医疗科技股份有限公司 2019-08-20 CN disclosed
US-10377771-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture ANGUS CHEMICAL COMPANY (US) 2019-08-13 US disclosed
US-10301576-B2 Formulations, their use as or for producing dishwashing detergents and their production BASF SE (DE) 2019-05-28 US disclosed
US-20130137901-A1 SYNTHESIS OF POLYALKYLENEPOLYAMINES HAVING A LOW COLOR INDEX BY HOMOGENEOUSLY CATALYZED ALCOHOL AMINATION IN THE PRESENCE OF HYDROGEN BASF SE (DE) 2013-05-30 US disclosed
WO-2013076025-A1 LIPOPHILIC POLYALKYLENE POLYAMINES OBTAINED BY HOMOGENEOUSLY CATALYZED ALCOHOL AMINATION BASF SE (DE) 2013-05-30 WO disclosed
CN-101998948-A Nitrated hydrocarbons, derivatives and processes for their manufacture DOW GLOBAL TECHNOLOGIES INCANGUS CHEMICAL COMPANY 2011-03-30 CN disclosed
EP-2280927-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2011-02-09 EP disclosed
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2011-02-03 US disclosed
WO-2009129097-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2009-10-22 WO disclosed
US-20080020217-A1 Colorless Transparent Polyimide Composite Film and Method for Producing Same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-01-24 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 (6 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-11542277-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 CYP2D6 232/4885LMNA 1670/4885SPHK1 1996/4885
US-20190315768-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 CYP2D6 232/4885LMNA 1670/4885SPHK1 1996/4885
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 CYP2D6 232/4885LMNA 1670/4885SPHK1 1996/4885
US-20160039843-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 CYP2D6 232/4885LMNA 1670/4885SPHK1 1996/4885
US-20130137901-A1 SYNTHESIS OF POLYALKYLENEPOLYAMINES HAVING A LOW COLOR INDEX BY HOMOGENEOUSLY CATALYZED ALCOHOL AMINATION IN THE PRESENCE OF HYDROGEN ADH1A, PNMT, ADH5 CYP2D6 3738/4885LMNA 3045/4885SPHK1 3471/4885
US-10377771-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 CYP2D6 232/4885LMNA 1670/4885SPHK1 1996/4885

“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.