SCHEMBL1816933

SCHEMBL1816933

COc1cc(Cl)cc(OC)c1.[MgH2]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
CYP1A1 P04798 6/20 0.48
CYP1B1 Q16678 6/20 0.48
AHR P35869 2/20 0.45
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2E1 P05181 2/20 0.42
CYP2C8 P10632 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2A6 P11509 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP4B1 P13584 2/20 0.42
CYP2B6 P20813 2/20 0.42
CYP3A5 P20815 2/20 0.42
CYP2A7 P20853 2/20 0.42
CYP3A7 P24462 2/20 0.42
CYP2F1 P24903 2/20 0.42
CYP2C18 P33260 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2J2 P51589 2/20 0.42

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
SCHEMBL21263 0.97 ALDH1A1 (0.69) ALDH1A1CYP1A1CYP1B1AHRCYP3A4
SCHEMBL28298270 0.94 ALDH1A1 (0.65) ALDH1A1CYP1A1CYP1B1AHRCYP3A4
SCHEMBL811578 0.91 ALDH1A1 (0.59) ALDH1A1CYP1A1CYP1B1AHRCYP3A4
SCHEMBL15521815 0.83 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1AHRCYP3A4
SCHEMBL12231 0.81 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1AHRCYP3A4
SCHEMBL19088278 0.81 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1AHRCYP3A4
1,3,5-Trimethoxybenzene SCHEMBL28493 0.80 ALDH1A1 (1.00) ALDH1A1CYP1A1CYP1B1AHRCYP3A4
SCHEMBL15936165 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1AHRCYP3A4
SCHEMBL17310933 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1AHRCYP3A4
SCHEMBL1477524 0.79 ALDH1A1 (0.46) ALDH1A1AHRNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
CN-102781583-B Metathesis catalyst and process for use thereof EXXONMOBIL CHEM PATENTS INC 2015-07-22 CN disclosed
EP-2866936-A1 METATHESIS CATALYST AND PROCESS FOR USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2015-05-06 EP disclosed
CN-104394987-A Metathesis catalyst and process for use thereof EXXONMOBIL CHEM PATENTS INC 2015-03-04 CN disclosed
US-8809563-B2 Metathesis catalyst and process for use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-08-19 US disclosed
CN-102186834-B New herbicides SYNGENTA LTD 2014-08-13 CN disclosed
CN-103781752-A Method for producing alpha-hydroxy ketone compound SUMITOMO CHEMICAL CO 2014-05-07 CN disclosed
WO-2014004089-A1 METATHESIS CATALYST AND PROCESS FOR USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-01-03 WO disclosed
EP-2533899-A2 METATHESIS CATALYST AND PROCESS FOR USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-12-19 EP disclosed
US-20120289729-A1 Metathesis Catalyst and Process for Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2012-11-15 US disclosed
US-8237003-B2 Metathesis catalyst and process for use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-08-07 US disclosed
CN-102186834-A New herbicides SYNGENTA LTD 2011-09-14 CN disclosed
WO-2011100022-A2 METATHESIS CATALYST AND PROCESS FOR USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-08-18 WO disclosed
US-20110112349-A1 Metathesis Catalyst and Process for Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-05-12 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 (5 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-20120289729-A1 Metathesis Catalyst and Process for Use Thereof MGLL, FASN, FDFT1 ALDH1A1 2327/4885CYP1A1 556/4885CYP1B1 569/4885
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 ALDH1A1 1896/4885CYP1A1 759/4885CYP1B1 822/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 ALDH1A1 1896/4885CYP1A1 759/4885CYP1B1 822/4885
US-20110112349-A1 Metathesis Catalyst and Process for Use Thereof MGLL, FASN, MSMO1 ALDH1A1 1338/4885CYP1A1 85/4885CYP1B1 333/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 ALDH1A1 1896/4885CYP1A1 759/4885CYP1B1 822/4885

“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.