SCHEMBL5696258

SCHEMBL5696258

C=CCN(CC=C)C(C=C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
HTR2A P28223 2/20 0.33
HRH1 P35367 1/20 0.33
CCR5 P51681 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ESR1 P03372 1/20 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
SCHEMBL6434362 0.81 SLC6A2 (0.34) CYP2C19SMN1; SMN2CYP3A4
SCHEMBL988241 0.80 SIGMAR1 (0.39) CYP2C19CYP1A2HTR2AHRH1ALDH1A1
SCHEMBL692680 0.79 CYP3A4 (0.42) CYP2C19SMN1; SMN2CYP1A2HTR2AHRH1
SCHEMBL10980934 0.77 CYP2C19 (0.37) CYP2C19HTR2AHRH1KDM4EALDH1A1
SCHEMBL15841505 0.77 KCNH2 (0.39) CYP2C19SMN1; SMN2CYP1A2HTR2AHRH1
SCHEMBL18493238 0.76 TAAR1 (0.39) CYP2C19SMN1; SMN2HTR2AHRH1KDM4E
SCHEMBL2162784 0.76 CYP2C19 (0.39) CYP2C19SMN1; SMN2CYP1A2HTR2AHRH1
SCHEMBL1137366 0.76 HTR2A (0.39) CYP2C19HTR2AHRH1ALDH1A1TDP1
SCHEMBL9827793 0.76 DPP4 (0.39) CYP2C19SMN1; SMN2CYP1A2HTR2AHRH1
SCHEMBL9285492 0.76 CYP2C19 (0.43) CYP2C19SMN1; SMN2CYP1A2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667645-A1 MATERIALS FOR ENHANCED DELIVERY OF HYDROPHILIC ACTIVE AGENTS IN PERSONAL CARE FORMULATIONS SYMYX TECHNOLOGIES (US) 2006-06-14 EP disclosed
EP-1174187-B1 BIPOLAR MEMBRANE TOKUYAMA CORP (JP) 2005-11-23 EP disclosed
US-20050152855-A1 Materials for enhanced delivery of hydrophilic active agents in personal care formulations FREESLATE, INC. 2005-07-14 US disclosed
WO-2005027864-A1 MATERIALS FOR ENHANCED DELIVERY OF HYDROPHILIC ACTIVE AGENTS IN PERSONAL CARE FORMULATIONS SYMYX TECHNOLOGIES, INC. (US) 2005-03-31 WO disclosed
US-6596137-B2 Bipolar membrane TOKOYAMA CORPORATION (JP) 2003-07-22 US disclosed
US-20030006138-A1 Bipolar membrane TOKUYAMA CORPORATION (JP) 2003-01-09 US disclosed
EP-1174187-A1 BIPOLAR MEMBRANE TOKUYAMA CORPORATION (JP) 2002-01-23 EP disclosed
EP-0459820-B1 Bipolar membrane and method for its production TOKUYAMA CORP (JP) 1997-07-30 EP disclosed
US-5221455-A A heavy metal-neutralized anionic polymer bonded to a cationic polymer; electrolysis of water; nonbubbling or -foaming at the interface TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1993-06-22 US disclosed
EP-0459820-A2 Bipolar membrane and method for its production TOKUYAMA CORPORATION (JP) 1991-12-04 EP disclosed
US-4051093-A Manufacture of shear-resistant aqueous copolymer emulsions BASF AKTIENGESELLSCHAFT (DT) 1977-09-27 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-20050152855-A1 Materials for enhanced delivery of hydrophilic active agents in personal care formulations LPO, HAO2, CUTA CYP2C19 268/4885SMN1; SMN2 1844/4885CYP1A2 767/4885

“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.