SCHEMBL8072797

SCHEMBL8072797

C=CCc1ccccc1OCCCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 4/20 0.60
CNR2 P34972 2/20 0.55
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CNR1 P21554 1/20 0.50
ADRB2 P07550 3/20 0.49
ADRB1 P08588 3/20 0.49
LMNA P02545 2/20 0.49
HTR1A P08908 1/20 0.49
ADRB3 P13945 1/20 0.49
ADRA2C P18825 1/20 0.49
SLC6A2 P23975 1/20 0.49
BDKRB2 P30411 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
HTR2B P41595 1/20 0.49
KCNH2 Q12809 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL28783874 0.97 KDM4E (0.60) KDM4EALDH1A1CNR2CYP1A2CYP2C9
SCHEMBL28158323 0.95 KDM4E (0.58) KDM4EALDH1A1CNR2CYP1A2ADRB2
SCHEMBL8077527 0.91 ALDH1A1 (0.57) KDM4EALDH1A1CNR2CYP1A2ADRB2
SCHEMBL9625908 0.91 KDM4E (0.69) KDM4EALDH1A1CYP1A2ADRB2ADRB1
Ethylene Glycol SCHEMBL3728134 0.89 KDM4E (0.53) KDM4EALDH1A1CNR2CYP1A2CNR1
Ethylene Glycol SCHEMBL3741801 0.89 KDM4E (0.53) KDM4EALDH1A1CNR2CYP1A2CNR1
SCHEMBL9627195 0.89 KDM4E (0.67) KDM4EALDH1A1CYP1A2ADRB2ADRB1
SCHEMBL9625662 0.89 KDM4E (0.67) KDM4EALDH1A1CYP1A2ADRB2ADRB1
SCHEMBL9626411 0.89 KDM4E (0.67) KDM4EALDH1A1CYP1A2ADRB2ADRB1
SCHEMBL9625872 0.89 KDM4E (0.67) KDM4EALDH1A1CYP1A2ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10279509-A None JP disclosed
US-20160311792-A1 Sulfamate Derivative Compounds for Use in Treating or Alleviating Pain BIO-PHARM SOLUTIONS CO., LTD. (KR) 2016-10-27 US disclosed
WO-2015088272-A9 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS CO., LTD. (KR) 2015-10-01 WO disclosed
WO-2015088272-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS CO., LTD. (KR) 2015-06-18 WO disclosed
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
JP-H10279509-A PRODUCTION OF PARA-OR META-HYDROXYALKYLBENZENE AND ITS INTERMEDIATE HOKKO CHEM IND CO LTD 1998-10-20 JP disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 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 (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-20160311792-A1 Sulfamate Derivative Compounds for Use in Treating or Alleviating Pain SULT2A1, SULT1A1, TRPV1 KDM4E 1943/4885ALDH1A1 894/4885CNR2 155/4885

“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.