SCHEMBL9396245

SCHEMBL9396245

OCc1cc(I)cc(I)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
TTR P02766 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CASP6 P55212 1/20 0.36
PRKCI P41743 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
TBXA2R P21731 1/20 0.32
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
RAB9A P51151 1/20 0.31
HIF1A Q16665 1/20 0.31
RECQL P46063 1/20 0.31
ENPP2 Q13822 1/20 0.31
ACP1 P24666 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL2491626 0.94 ACHE (0.48) ACHETTRTSHRKDM4ECASP6
SCHEMBL16953198 0.82 ACHE (0.39) ACHETTRKDM4ECASP6MAPT
SCHEMBL15651082 0.82 ACHE (0.39) ACHEKDM4ECASP6CYP1A2CYP2D6
SCHEMBL1071522 0.82 ACHE (0.39) ACHEKDM4ECASP6IDO1
SCHEMBL2017927 0.82 ACHE (0.39) ACHEKDM4ECASP6CYP1A2CYP2D6
SCHEMBL16957404 0.82 ACHE (0.39) ACHETTRKDM4ECASP6MAPT
SCHEMBL16681079 0.82 CYP4F2 (0.44) ACHEKDM4ECASP6IDO1
SCHEMBL3986097 0.82 ACHE (0.39) ACHETTRTSHRKDM4ECASP6
SCHEMBL16950352 0.78 CNR1 (0.36) ACHETTRCYP2D6CYP2C19RAB9A
SCHEMBL23794324 0.77 ALDH1A1 (0.41) ACHETSHRKDM4EMAPTACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220146931-A1 SALT, ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-05-12 US disclosed
CN-105385044-B A kind of automobile safe airbag lid material TPV and preparation method thereof 嘉兴市博尔塑胶有限公司 2018-05-22 CN disclosed
US-9309463-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-04-12 US disclosed
US-9309463-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-04-12 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20140077131-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-03-20 US disclosed
US-20140077131-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-03-20 US disclosed
US-20120149663-A1 BORONIC ACID COMPOSITIONS AND METHODS RELATED TO CANCER GEORGETOWN UNIVERSITY (US) 2012-06-14 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
US-4175544-A X-RAYS OF BODY FOR MEDICAL DIAGNOSIS Lafayette Pharmacal Inc. (US) 1979-11-27 US disclosed
US-4022814-A Iodine containing organic carbonates for use as radiographic agents LAFAYETTE PHARMACAL, INC. (US) 1977-05-10 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-20220146931-A1 SALT, ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN RER1, FGFR1, CLIC1 ACHE 4673/4885TTR 2388/4885TSHR 334/4885
US-20120149663-A1 BORONIC ACID COMPOSITIONS AND METHODS RELATED TO CANCER RB1, RBBP5, CCNB1 ACHE 4884/4885TTR 4498/4885TSHR 3801/4885

“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.