SCHEMBL4861564

SCHEMBL4861564

C=C(CCCNCC)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
KDM1A O60341 5/20 0.34
SAT1 P21673 3/20 0.34
PAOX Q6QHF9 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL17288881 0.94 CYP2C19 (0.43) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL4855330 0.88 TDP1 (0.35) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL16506744 0.86 PAOX (0.46) TSHRPAOXTDP1HDAC1HDAC2
Diethylamine SCHEMBL21409732 0.84 CES1 (0.39) CYP2C19MEN1KMT2ACYP1A2TSHR
SCHEMBL303227 0.82 CYP2C19 (0.42) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL3927721 0.81
Diethylamine SCHEMBL6905146 0.79 CTSD (0.38) TSHRTDP1HDAC1HDAC2
SCHEMBL4449313 0.79 TDP1 (0.35) TDP1
SCHEMBL19215554 0.79
SCHEMBL31281219 0.78 HDAC1 (0.41) TSHRPAOXHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0118327-B1 CATIONIC LATICES FROM CONJUGATED DIENES RHONE-POULENC CHIMIE (FR) 1987-04-22 EP claimed
US-10772822-B2 Molecularly imprinted polymers and their use as antidandruff agents L'OREAL (FR) 2020-09-15 US disclosed
EP-2938641-B1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS ORÉAL L (FR) 2016-08-24 EP disclosed
US-20150342859-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS L'OREAL (FR) 2015-12-03 US disclosed
EP-2938641-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS L'Oréal (FR) 2015-11-04 EP disclosed
WO-2014102206-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS L'OREAL (FR) 2014-07-03 WO disclosed
US-7442244-B2 Water-base ink composition SEIKO EPSON CORPORATION (JP) 2008-10-28 US disclosed
EP-1688465-A1 WATER-BASED INK COMPOSITION AND METHOD OF INK-JET RECORDING WITH THE SAME SEIKO EPSON CORPORATION (JP) 2006-08-09 EP disclosed
US-20050235870-A1 2-ethyl-1,3-hexanediol, acetylene glycol surfactant and/or penetrating organic solvent, and humectant; ink jet printing; highly stably ejected and evenly printed on recording media; clogged nozzle problem prevented SEIKO EPSON CORPORATION 2005-10-27 US disclosed
US-6877851-B2 Ink set for ink jet recording, ink jet recording process, and recorded matter SEIKO EPSON CORPORATION (JP) 2005-04-12 US disclosed
EP-0828763-A1 POLYMER AND SURFACTANT MIXTURES, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-03-18 EP disclosed
WO-1997009359-A1 POWDERY POROUS POLYMERS CONTAINING N-VINYLIMIDAZOL UNITS, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-03-13 WO disclosed
WO-1996037524-A1 POLYMER AND SURFACTANT MIXTURES, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-11-28 WO disclosed
EP-0605567-A4 WATER-SOLUBLE FORMULATION FOR MASKING AND THE LIKE, AND METHOD UTILIZING THE SAME. DYMAX CORP (US) 1995-08-30 EP disclosed
EP-0605567-A1 WATER-SOLUBLE FORMULATION FOR MASKING AND THE LIKE, AND METHOD UTILIZING THE SAME DYMAX CORPORATION (US) 1994-07-13 EP disclosed
WO-1993005889-A1 WATER-SOLUBLE FORMULATION FOR MASKING AND THE LIKE, AND METHOD UTILIZING THE SAME DYMAX CORPORATION (US) 1993-04-01 WO disclosed
EP-0331528-A1 Antimicrobial ethylene copolymers and compositions thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-09-06 EP disclosed
EP-0290205-A1 Electrical storage accumulators containing electrolyte retention means SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-09 EP disclosed
EP-0289330-A2 Thermoplastic spun conjugate fibers and nonwoven molding thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-02 EP disclosed
US-4000218-A PROCESS FOR PREPARING PARTICULATE POLYURETHANE POLYMERS AND THE POLYMERS DERIVED THEREFROM UNION CARBIDE CORPORATION (US) 1976-12-28 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 (2 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-10772822-B2 Molecularly imprinted polymers and their use as antidandruff agents DNMT1, POLR1C, ETF1 CYP2C19 177/4885MEN1 599/4885GLA 4396/4885
US-20150342859-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS DNMT1, POLR1C, ETF1 CYP2C19 177/4885MEN1 599/4885GLA 4396/4885

“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.