SCHEMBL4860595

SCHEMBL4860595

CCNCCCC=C(C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
KDM1A O60341 5/20 0.36
SAT1 P21673 3/20 0.32
PAOX Q6QHF9 2/20 0.32

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
SCHEMBL15846169 0.95 CYP2C19 (0.40) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL4860864 0.89 CYP2C19 (0.31) CYP2C19MEN1GLAKMT2ACYP1A2
Diethylamine SCHEMBL21409758 0.85 TSHR (0.37) CYP2C19MEN1KMT2ACYP1A2TSHR
SCHEMBL1846398 0.84 ALDH1A1 (0.43) CYP2C19MEN1KMT2ACYP1A2TSHR
SCHEMBL636778 0.83 CYP2C19 (0.39) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL636776 0.83 CYP2C19 (0.39) CYP2C19MEN1GLAKMT2ACYP1A2
Diethylamine SCHEMBL5673024 0.81 GRIK1 (0.33)
SCHEMBL3858507 0.81 KISS1R (0.34)
SCHEMBL18579303 0.81 KDM4E (0.35) CYP2C19MEN1KMT2ACYP1A2TSHR
SCHEMBL10941100 0.80 TP53BP1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479710-B2 Substituted alkanolamine scale inhibitor HALLIBURTON ENERGY SERVICES, INC. (US) 2022-10-25 US disclosed
US-20220186105-A1 SUBSTITUTED ALKANOLAMINE SCALE INHIBITOR HALLIBURTON ENERGY SERVICES, INC. 2022-06-16 US disclosed
US-20220169545-A1 METHODS AND COMPOSITIONS FOR TREATING PRODUCED WATER STERLING SPECIALTY CHEMICALS HOLDING UK LIMITED (GB) 2022-06-02 US disclosed
CN-114174446-A Primer coatings for inkjet and liquid-phase electrophotographic printing 米切尔曼公司 2022-03-11 CN disclosed
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
WO-2012113723-A2 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A NON-CELLULOSE-BASED THICKENING POLYMER, AN ALKALINE AGENT AND A REDUCING AGENT L'OREAL (FR) 2012-08-30 WO disclosed
EP-1458933-A1 METHOD FOR PRODUCING PAPER, PAPERBOARD AND CARDBOARD BASF AKTIENGESELLSCHAFT (DE) 2004-09-22 EP disclosed
WO-2004035668-A2 SUPERABSORBING FOAM, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2004-04-29 WO disclosed
WO-2003052205-A1 METHOD FOR PRODUCING PAPER, PAPERBOARD AND CARDBOARD BASF AKTIENGESELLSCHAFT (DE) 2003-06-26 WO disclosed
EP-1287104-A1 USE OF CATIONICALLY MODIFIED, PARTICLE-SHAPED, HYDROPHOBIC POLYMERS AS ADDITION AGENTS IN TEXTILE RINSING OR CARE PRODUCTS AND AS ADDITION AGENTS IN DETERGENTS BASF AKTIENGESELLSCHAFT (DE) 2003-03-05 EP disclosed
WO-2001094516-A1 USE OF CATIONICALLY MODIFIED, PARTICLE-SHAPED, HYDROPHOBIC POLYMERS AS ADDITION AGENTS IN TEXTILE RINSING OR CARE PRODUCTS AND AS ADDITION AGENTS IN DETERGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-12-13 WO disclosed
EP-0929285-A2 USE OF WATER-SOLUBLE COPOLYMERS AS ACTIVE INGREDIENTS IN COSMETICS BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1998014164-A2 USE OF WATER-SOLUBLE COPOLYMERS AS ACTIVE INGREDIENTS IN COSMETICS BASF AKTIENGESELLSCHAFT (DE) 1998-04-09 WO disclosed
WO-1995002674-A1 PREVENTION OF THE FORMATION OF FILMY DEPOSITS AFTER RINSING IN NON-DOMESTIC CLEANING PROCESSES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-01-26 WO disclosed
EP-0277580-A2 Modification of the wet fastness of sulphur dyeings CASSELLA Aktiengesellschaft (DE) 1988-08-10 EP disclosed
EP-0249380-A2 Shade enhancing agent Kao Corporation (JP) 1987-12-16 EP 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.