SCHEMBL20161084

SCHEMBL20161084

O=C1C(c2ccc(F)cc2)=C(c2ccc(F)cc2)C(c2ccc(F)cc2)=C1c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.50
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGS1 P23219 8/20 0.44
PTGS2 P35354 6/20 0.43
HSD11B1 P28845 2/20 0.41
MAPT P10636 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
NOTUM Q6P988 1/20 0.38
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38

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
SCHEMBL14338520 0.91 PTGS1 (0.56) MAPK14USP2ALDH1A1HPGDHTT
SCHEMBL7519728 0.91 PTGS1 (0.56) MAPK14USP2ALDH1A1HPGDHTT
SCHEMBL29504918 0.87 ALDH1A1 (0.46) MAPK14USP2ALDH1A1HPGDHTT
SCHEMBL28715977 0.87 ALDH1A1 (0.46) MAPK14USP2ALDH1A1HPGDHTT
SCHEMBL13170491 0.74 PDE4B (0.52) ALDH1A1HTTPTGS2MAPT
SCHEMBL20160837 0.74 PDE4B (0.52) ALDH1A1HTTPTGS2MAPT
SCHEMBL4250744 0.74 PDE4B (0.52) ALDH1A1HTTPTGS2MAPT
SCHEMBL13170578 0.74 PDE4B (0.52) ALDH1A1HTTPTGS2MAPT
SCHEMBL4912423 0.72 CA2 (0.44) ALDH1A1HTTPTGS2MAPT
SCHEMBL4936965 0.72 CYP2D6 (0.62) HPGDHSD17B10PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538623-B1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2023-12-20 EP disclosed
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2023-11-02 US disclosed
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2023-11-02 US disclosed
EP-4271163-A2 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP Merck Patent GmbH (DE) 2023-11-01 EP disclosed
US-11711976-B2 Compounds with an acceptor and a donor group MERCK PATENT GMBH (DE) 2023-07-25 US disclosed
US-11711976-B2 Compounds with an acceptor and a donor group MERCK PATENT GMBH (DE) 2023-07-25 US disclosed
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2020-06-25 US disclosed
WO-2018087346-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2018-05-17 WO 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-11711976-B2 Compounds with an acceptor and a donor group NQO1, ICMT, NUDT1 MAPK14 4115/4885USP2 4527/4885ALDH1A1 242/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 MAPK14 4115/4885USP2 4527/4885ALDH1A1 242/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 MAPK14 4115/4885USP2 4527/4885ALDH1A1 242/4885

“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.