SCHEMBL811852

SCHEMBL811852

COc1cc(I)cc(I)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
CYP1A1 P04798 5/20 0.43
CYP1B1 Q16678 5/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 3/20 0.39
CYP2E1 P05181 2/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2A6 P11509 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP4B1 P13584 2/20 0.39
CYP2B6 P20813 2/20 0.39
CYP3A5 P20815 2/20 0.39
CYP2A7 P20853 2/20 0.39

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
SCHEMBL388181 0.94 ALDH1A1 (0.69) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL388119 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL600497 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CYP3A4APP
SCHEMBL1710751 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL30015780 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL15936181 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL17204349 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL16955152 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL13786716 0.82 CYP3A4 (0.50) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL30074410 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11732138-B2 Deep ultraviolet-excitable water-solvated polymeric dyes BECTON, DICKINSON AND COMPANY (US) 2023-08-22 US disclosed
US-20230235177-A1 Deep Ultraviolet-Excitable Water-Solvated Polymeric Dyes BECTON, DICKINSON AND COMPANY 2023-07-27 US disclosed
US-11668716-B2 Ultraviolet absorbing polymeric dyes and methods for using the same BECTON, DICKINSON AND COMPANY (US) 2023-06-06 US disclosed
US-11643556-B2 Fluorescent conjugated polymers BECTON, DICKINSON AND COMPANY (US) 2023-05-09 US disclosed
US-20210373029-A1 Ultraviolet Absorbing Polymeric Dyes and Methods for Using the Same BECTON, DICKINSON AND COMPANY 2021-12-02 US disclosed
US-11119107-B2 Ultraviolet absorbing polymeric dyes and methods for using the same BECTON, DICKINSON AND COMPANY (US) 2021-09-14 US disclosed
US-11034840-B2 Water-soluble polymeric dyes BECTON, DICKINSON AND COMPANY (US) 2021-06-15 US disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
US-20200200761-A1 Ultraviolet Absorbing Polymeric Dyes and Methods for Using the Same BECTON, DICKINSON AND COMPANY 2020-06-25 US disclosed
US-20200062966-A1 Water-Soluble Polymeric Dyes BECTON, DICKINSON AND COMPANY 2020-02-27 US disclosed
US-8598349-B2 Method for manufacturing conjugated aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
US-20120149663-A1 BORONIC ACID COMPOSITIONS AND METHODS RELATED TO CANCER GEORGETOWN UNIVERSITY (US) 2012-06-14 US disclosed
EP-2395040-A1 FLUORINATED DICARBOXYLIC ACID DERIVATIVE AND POLYMER OBTAINED THEREFROM Central Glass Company, Limited (JP) 2011-12-14 EP disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 US disclosed
EP-2390241-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-11-30 EP disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
US-20110256790-A1 THERMAL INSULATION CONTAINING SUPPLEMENTAL INFRARED RADIATION ABSORBING MATERIAL SAINT-GOBAIN ISOVER (FR) 2011-10-20 US disclosed
US-5334590-A MRSA active 2-phenyl-carbapenems MERCK & CO., INC. (US) 1994-08-02 US disclosed
US-5256777-A Bactericides MERCK & CO., INC. (US) 1993-10-26 US disclosed
EP-0538016-A1 MRSA active 2-phenyl-carbapenems MERCK & CO. INC. (US) 1993-04-21 EP 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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 ALDH1A1 46/4885CYP1A1 3/4885CYP1B1 4/4885
US-20120149663-A1 BORONIC ACID COMPOSITIONS AND METHODS RELATED TO CANCER RB1, RBBP5, CCNB1 ALDH1A1 3282/4885CYP1A1 2869/4885CYP1B1 1883/4885
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 ALDH1A1 181/4885CYP1A1 752/4885CYP1B1 1955/4885

“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.