SCHEMBL3172829

SCHEMBL3172829

CC=Cc1ccc(OC)cc1OC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 0.81
CYP1A1 P04798 15/20 0.81
CYP1B1 Q16678 15/20 0.81
NFE2L2 Q16236 2/20 0.70
ALDH1A1 P00352 3/20 0.66
CYP3A4 P08684 3/20 0.66
CYP2C19 P33261 2/20 0.66
MEN1 O00255 2/20 0.66
MAPT P10636 2/20 0.66
KMT2A Q03164 2/20 0.66
CYP2E1 P05181 1/20 0.66
CYP2C8 P10632 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2A6 P11509 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP4B1 P13584 1/20 0.66
CYP2B6 P20813 1/20 0.66
CYP3A5 P20815 1/20 0.66
CYP2A7 P20853 1/20 0.66
CYP3A7 P24462 1/20 0.66

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
SCHEMBL12090696 1.00 CYP1A2 (0.81) CYP1A2CYP1A1CYP1B1NFE2L2ALDH1A1
SCHEMBL3172823 1.00 CYP1A2 (0.81) CYP1A2CYP1A1CYP1B1NFE2L2ALDH1A1
SCHEMBL25706432 0.90 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1NFE2L2ALDH1A1
SCHEMBL15932970 0.89 CYP1A2 (0.75) CYP1A2CYP1A1CYP1B1NFE2L2ALDH1A1
SCHEMBL26924044 0.86 CYP1A2 (0.84) CYP1A2CYP1A1CYP1B1NFE2L2ALDH1A1
SCHEMBL265496 0.84 CYP1A1 (0.70) CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4
SCHEMBL14224730 0.84 CYP1A1 (0.70) CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4
SCHEMBL30474601 0.84 CYP1A1 (0.70) CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4
SCHEMBL7871043 0.84 CYP1A1 (0.70) CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4
SCHEMBL14528012 0.84 CYP1A2 (0.58) CYP1A2CYP1A1CYP1B1NFE2L2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101717692-B Artemisia rutifolia essential oil and extraction process and application thereof NORTHWEST INST PLATEAU BIO CAS 2012-08-29 CN disclosed
CN-101717692-A Artemisia rutifolia essential oil and extraction process and application thereof NORTHWEST INST OF PLATEAU BIOL 2010-06-02 CN disclosed
EP-1767514-B1 Process for the isomerisation of alkenylalkoxybenzenen SYMRISE GMBH & CO KG (DE) 2010-03-31 EP disclosed
CN-100577649-C Electroluminescent device CIBA SC HOLDING AG 2010-01-06 CN disclosed
US-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-07-09 US disclosed
US-20070073089-A1 Process for the Isomerisation of Alkenyl Alkoxybenzenes SYMRISE GMBH & CO. KG (DE) 2007-03-29 US disclosed
EP-1767514-A1 Process for the isomerisation of alkenylalkoxybenzenen Symrise GmbH & Co. KG (DE) 2007-03-28 EP disclosed
CN-1708485-A Electroluminescent device CIBA SC HOLDING AG (CH) 2005-12-14 CN disclosed
US-6299785-B1 Electrode formation process JSR CORPORATION (JP) 2001-10-09 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-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CYP1A2 541/4885CYP1A1 733/4885CYP1B1 1043/4885
US-20070073089-A1 Process for the Isomerisation of Alkenyl Alkoxybenzenes ADH1C, ADH1A, AKR7A2 CYP1A2 20/4885CYP1A1 18/4885CYP1B1 5/4885

“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.