SCHEMBL731801

SCHEMBL731801

CC(C)=NOC(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL12396401 1.00 TP53 (0.35) TP53CYP1A2GAACYP2C9PKM
SCHEMBL919419 1.00 TP53 (0.35) TP53CYP1A2GAACYP2C9PKM
SCHEMBL12269675 0.82 TSHR (0.32) TSHR
SCHEMBL7675771 0.78 LMNA (0.32)
SCHEMBL15631242 0.76 MMP1 (0.41) TP53
SCHEMBL10524895 0.76 TP53 (0.32) TP53
SCHEMBL14866582 0.75 TP53 (0.36) TP53
SCHEMBL919489 0.75 ALDH1A1 (0.42) GAACYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL23160708 0.74
SCHEMBL9606343 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138369-B2 Removal of branched dibenzothiophenes from hydrocarbon mixtures via charge transfer complexes with a TAPA-functionalized adsorbent CHEVRON U.S.A. INC. (US) 2012-03-20 US claimed
US-20090076221-A1 REMOVAL OF BRANCHED DIBENZOTHIOPHENES FROM HYDROCARBON MIXTURES VIA CHARGE TRANSFER COMPLEXES WITH A TAPA-FUNCTIONALIZED ADSORBENT CHEVRON U.S.A. INC. 2009-03-19 US claimed
WO-2008154331-A1 REMOVAL OF BRANCHED DIBENZOTHIOPHENES FROM HYDROCARBON MIXTURES VIA CHARGE TRANSFER COMPLEXES WITH A TAPA-FUNCTIONALIZED ADSORBENT CHEVRON U.S.A. INC. (US) 2008-12-18 WO claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-9527866-B2 Processes for production of intermediates for 2-alkyl cephem compounds SHIONOGI & CO., LTD. (JP) 2016-12-27 US disclosed
US-9334289-B2 Cephem compound having catechol or pseudo-catechol structure SHIONOGI & CO., LTD. (JP) 2016-05-10 US disclosed
US-9242999-B2 Cephem compound having pyridinium group SHIONOGI & CO., LTD. (JP) 2016-01-26 US disclosed
US-20150344502-A1 CEPHEM COMPOUND SHIONOGI & CO., LTD. (JP) 2015-12-03 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 US disclosed
US-20150291619-A1 PROCESSES FOR PRODUCTION OF INTERMEDIATES FOR 2-ALKYL CEPHEM COMPOUNDS SHIONOGI & CO., LTD. (JP) 2015-10-15 US disclosed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 US disclosed
WO-2007048002-A2 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS CALIFORNIA PACIFIC MEDICAL CENTER (US) 2007-04-26 WO disclosed
WO-2007048002-A2 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS CALIFORNIA PACIFIC MEDICAL CENTER (US) 2007-04-26 WO disclosed
US-20070093432-A1 Camptothecin derivatives as chemoradiosensitizing agents CALIFORNIA PACIFIC MEDICAL CENTER 2007-04-26 US disclosed
US-20070093432-A1 Camptothecin derivatives as chemoradiosensitizing agents CALIFORNIA PACIFIC MEDICAL CENTER 2007-04-26 US disclosed
US-20070093432-A1 Camptothecin derivatives as chemoradiosensitizing agents CALIFORNIA PACIFIC MEDICAL CENTER 2007-04-26 US disclosed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
US-4584014-A PREEMERGENCE HERBICIDES;CORN, WHEAT AND OATS ROHM AND HAAS COMPANY (US) 1986-04-22 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 (7 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL TP53 2851/4885CYP1A2 184/4885GAA 31/4885
US-20150291619-A1 PROCESSES FOR PRODUCTION OF INTERMEDIATES FOR 2-ALKYL CEPHEM COMPOUNDS SQOR, DHPS, NISCH TP53 3252/4885CYP1A2 43/4885GAA 2346/4885
US-20150344502-A1 CEPHEM COMPOUND PRMT6, CEP170, NR0B1 TP53 3220/4885CYP1A2 1403/4885GAA 4786/4885
US-20070093432-A1 Camptothecin derivatives as chemoradiosensitizing agents ERCC2, CHEK1, ERCC4 TP53 55/4885CYP1A2 4755/4885GAA 1721/4885
US-20090076221-A1 REMOVAL OF BRANCHED DIBENZOTHIOPHENES FROM HYDROCARBON MIXTURES VIA CHARGE TRANSFER COMPLEXES WITH A TAPA-FUNCTIONALIZED ADSORBENT TST, SLC43A1, BCAT1 TP53 2483/4885CYP1A2 985/4885GAA 3496/4885
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds DPYD, PKD1, AOC1 TP53 3954/4885CYP1A2 100/4885GAA 18/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 TP53 1963/4885CYP1A2 976/4885GAA 815/4885

“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.