SCHEMBL4266314

SCHEMBL4266314

COc1cc2ccccc2c(OC)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
BTK Q06187 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.44
BRD9 Q9H8M2 1/20 0.42
BRD7 Q9NPI1 1/20 0.42
NQO1 P15559 1/20 0.41
NR1I3 Q14994 2/20 0.41
CYP3A4 P08684 1/20 0.41
VDR P11473 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
AHR P35869 1/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
Hydrochloric Acid SCHEMBL11618442 0.98 KDM4E (0.52) KDM4EBTKALDH1A1CYP1A2CYP2C19
Sodium Chloride SCHEMBL10660756 0.93 KDM4E (0.47) KDM4EBTKALDH1A1CYP1A2CYP2C19
SCHEMBL13763671 0.84 BTK (0.44) KDM4EBTKALDH1A1CYP1A2CYP2C19
SCHEMBL13409319 0.84 BTK (0.50) KDM4EBTKALDH1A1CYP1A2CYP2C19
SCHEMBL26132370 0.82 BTK (0.48) KDM4EBTKALDH1A1CYP1A2CYP2C19
SCHEMBL13443806 0.80 BTK (0.49) KDM4EBTKALDH1A1CYP1A2CYP2C19
SCHEMBL637337 0.80 KDM4E (0.53) KDM4EALDH1A1CYP1A2CYP2C19NQO1
SCHEMBL161865 0.78 BTK (0.48) KDM4EBTKALDH1A1CYP1A2CYP2C19
SCHEMBL18687685 0.78 BTK (0.48) KDM4EBTKALDH1A1CYP1A2CYP2C19
SCHEMBL5656369 0.78 BTK (0.48) KDM4EBTKALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180021334-A1 USE OF ERGOT ALKALOIDS AS AN ANTHELMINTIC AGENT REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-01-25 US claimed
CN-101973991-B Preparation method of fibrauretine TAICANG PUYUAN PHARMACEUTICAL RAW MATERIAL CO LTD 2012-07-25 CN claimed
CN-101973991-A Preparation method of fibrauretine TAICANG PUYUAN PHARMACEUTICAL RAW MATERIAL CO LTD 2011-02-16 CN claimed
CN-101285061-A Fungal cell wall synthetic genes EISAI R&D MAN CO LTD (JP) 2008-10-15 CN claimed
CN-1249227-C Fungal cell wall synthetic genes EISAI CO LTD (JP) 2006-04-05 CN claimed
CN-1449443-A Fungal cell wall synthetic genes EISAI CO LTD (JP) 2003-10-15 CN claimed
EP-0158312-B1 1-CYCLOHEXYL-3,4-DIHYDROISOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENT CONTAINING THEM RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1990-09-12 EP claimed
CN-1008738-B The preparation method of cephalosporins derivatives BANYU PHARMA CO LTD (JP) 1990-07-11 CN claimed
CN-85109545-A Process for preparing cephalosporin derivatives 1986-07-23 CN claimed
US-10426772-B2 Use of ergot alkaloids as an anthelmintic agent REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-10-01 US disclosed
US-10426772-B2 Use of ergot alkaloids as an anthelmintic agent REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-10-01 US disclosed
US-20180021334-A1 USE OF ERGOT ALKALOIDS AS AN ANTHELMINTIC AGENT REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-01-25 US disclosed
US-20180021334-A1 USE OF ERGOT ALKALOIDS AS AN ANTHELMINTIC AGENT REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-01-25 US disclosed
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed
CN-1081181-A Acridine derivatives GLAXO LAB SA (FR) 1994-01-26 CN disclosed
CN-1061411-A Be used to strengthen the active quinazoline derivant of antineoplastic agent PFIZER (US) 1992-05-27 CN disclosed
EP-0158312-B1 1-CYCLOHEXYL-3,4-DIHYDROISOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENT CONTAINING THEM RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1990-09-12 EP disclosed
CN-1008738-B The preparation method of cephalosporins derivatives BANYU PHARMA CO LTD (JP) 1990-07-11 CN disclosed
CN-85109545-A Process for preparing cephalosporin derivatives 1986-07-23 CN disclosed
US-3994891-A VASODILATORS ARMOUR PHARMACEUTICAL COMPANY (US) 1976-11-30 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-20180021334-A1 USE OF ERGOT ALKALOIDS AS AN ANTHELMINTIC AGENT HNMT, GNMT, AADAT KDM4E 1387/4885BTK 4778/4885ALDH1A1 2404/4885
US-10426772-B2 Use of ergot alkaloids as an anthelmintic agent HNMT, AADAT, GNMT KDM4E 928/4885BTK 4757/4885ALDH1A1 2314/4885

“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.