SCHEMBL2970581

SCHEMBL2970581

CCOc1cc(C)cc(OCC)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.52
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 2/20 0.41
CYP3A4 P08684 1/20 0.41
ESR1 P03372 2/20 0.39
AHR P35869 1/20 0.39
LTA4H P09960 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS2 P35354 1/20 0.38
KAT6A Q92794 1/20 0.38
NPC1 O15118 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL150433 0.94 NQO1 (0.52) NQO1TSHRTDP1TP53CYP3A4
SCHEMBL14461578 0.91 ESR1 (0.52) NQO1CYP3A4ESR1AHR
SCHEMBL1683212 0.88 NQO1 (0.65) NQO1TSHRTDP1TP53CYP3A4
SCHEMBL16959484 0.87 NQO1 (0.46) NQO1TP53CYP3A4AHRLTA4H
SCHEMBL16951377 0.84 NQO1 (0.42) NQO1TSHRTDP1TP53CYP3A4
SCHEMBL9774077 0.84 ALDH1A1 (0.50) NQO1LTA4HMEN1KMT2ARECQL
SCHEMBL16956758 0.84 MAPT (0.42) NQO1TSHRTDP1TP53CYP3A4
SCHEMBL16951845 0.84 NQO1 (0.42) NQO1TSHRTDP1TP53CYP3A4
SCHEMBL9503610 0.84 TP53 (0.53) NQO1TSHRTDP1TP53CYP3A4
SCHEMBL17204333 0.84 NQO1 (0.42) NQO1TSHRTDP1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763602-B2 Pyrrole derivatives as antimycobacterial compounds LUPIN LIMITED (IN) 2010-07-27 US claimed
US-7691837-B2 Pyrrole derivatives as antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
WO-2023230541-A1 PIPERAZINE DERIVATIVES USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2023-11-30 WO disclosed
EP-2723857-B1 RECOMBINANT PRODUCTION SYSTEMS FOR AROMATIC MOLECULES RHO RENEWABLES INC (US) 2019-03-27 EP disclosed
US-10125381-B2 Recombinant prodcution systems for aromatic molecules RHO RENEWABLES, INC. (US) 2018-11-13 US disclosed
CN-108570420-A The recombinant production system of aromatic molecules RHO可再生股份有限公司 2018-09-25 CN disclosed
US-20170253893-A1 RECOMBINANT PRODCUTION SYSTEMS FOR AROMATIC MOLECULES VIA BIOFUELS, INC. 2017-09-07 US disclosed
US-9637763-B2 Recombinant production systems for aromatic molecules RHO RENEWABLES, INC. (US) 2017-05-02 US disclosed
US-20170080097-A1 DENDRIMERIC PLATFORM FOR CONTROLLED RELEASE OF DRUGS ARIEL-UNIVERSITY RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 2017-03-23 US disclosed
US-9580409-B2 Modulators of opioid receptors and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
WO-2007074893-A1 OXADIAZOLE DERIVATIVE, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING THE OXADIAZOLE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-07-05 WO disclosed
US-20070149784-A1 Oxadiazole derivative, and light emitting element, light emitting device, and electronic device using the oxadiazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2007-06-28 US disclosed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
US-20070142504-A1 Novel multi-branched polymer NIPPON SODA CO., LTD. (JP) 2007-06-21 US disclosed
US-20070142504-A1 Novel multi-branched polymer NIPPON SODA CO., LTD. (JP) 2007-06-21 US disclosed
CN-1668584-A Pyrrole derivatives as antimycobacterial compounds LUPIN LTD (IN) 2005-09-14 CN disclosed
EP-1546097-A1 PYRROLE DERIVATIVES AS ANTIMYCOBACTERIAL COMPOUNDS Lupin Limited (IN) 2005-06-29 EP disclosed
US-20050107370-A1 Pyrrole derivatives as antimycobacterial compounds LUPIN LIMITED (IN) 2005-05-19 US disclosed
WO-2004026828-A1 PYRROLE DERIVATIVES AS ANTIMYCOBACTERIAL COMPOUNDS LUPIN LIMITED (IN) 2004-04-01 WO 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 (3 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-20070149784-A1 Oxadiazole derivative, and light emitting element, light emitting device, and electronic device using the oxadiazole derivative OXA1L, ADRA1D, CRY1 NQO1 447/4885TSHR 1930/4885TDP1 3460/4885
US-20050107370-A1 Pyrrole derivatives as antimycobacterial compounds PGLS, SDHA, SDHB NQO1 207/4885TSHR 3161/4885TDP1 1455/4885
US-20170080097-A1 DENDRIMERIC PLATFORM FOR CONTROLLED RELEASE OF DRUGS CCL2, CD63, CD69 NQO1 3876/4885TSHR 1614/4885TDP1 4335/4885

“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.