SCHEMBL4491026

SCHEMBL4491026

O=C(O)c1ccc(C#CC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.55
RARG P13631 2/20 0.55
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.48
HAO1 Q9UJM8 1/20 0.48
PTPN11 Q06124 1/20 0.47
SRD5A2 P31213 2/20 0.46
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
CYP26A1 O43174 1/20 0.41
CYP3A4 P08684 1/20 0.41
RARA P10276 1/20 0.41
CRABP2 P29373 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
DRD1 P21728 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
TYR P14679 1/20 0.41

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
SCHEMBL29877145 0.82 PARP10 (0.43) RARBRARGTSHRHAO1CYP3A4
SCHEMBL28610694 0.82 ACACB (0.43) RARBRARGHAO1HPGDALDH1A1
SCHEMBL29789030 0.80 RARB (0.69) RARBRARGTSHRTP53PTPN11
SCHEMBL69572 0.80 RARB (0.69) RARBRARGTSHRTP53PTPN11
SCHEMBL3976159 0.80 RARB (0.65) RARBRARGTSHRTP53HAO1
SCHEMBL22721378 0.78 SRD5A2 (0.69) RARBRARGPTPN11SRD5A2RXRA
SCHEMBL22442356 0.78 RARB (0.62) RARBRARGTSHRTP53HAO1
Hydrochloric Acid SCHEMBL5666955 0.78 RARB (0.67) RARBRARGTSHRTP53PTPN11
SCHEMBL4491505 0.78 PTPN11 (0.53) TSHRPTPN11CA1CA2CA12
SCHEMBL30727809 0.78 HDAC6 (0.48) RARBRARGTSHRCA2HPGD

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-20250257075-A1 MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2025-08-14 US disclosed
EP-4551578-A1 MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-05-14 EP disclosed
WO-2024008610-A1 MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-01-11 WO disclosed
WO-2024008610-A1 MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-01-11 WO disclosed
US-20220267272-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2022-08-25 US disclosed
WO-2020241632-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT 日本曹達株式会社 2020-12-03 WO disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP disclosed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO disclosed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 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 (4 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-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 RARB 3168/4885RARG 2744/4885TSHR 2775/4885
US-20250257075-A1 MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS RARB 831/4885RARG 999/4885TSHR 2516/4885
US-20220267272-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT PLPBP, PRDX6, PRDX1 RARB 4097/4885RARG 4377/4885TSHR 2661/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 RARB 3168/4885RARG 2744/4885TSHR 2775/4885

“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.