SCHEMBL20161110

SCHEMBL20161110

CC1=C(c2ccccc2)C(=O)C(c2ccccc2)=C1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.54
MAPT P10636 6/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 2/20 0.47
MITF O75030 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
P2RX7 Q99572 1/20 0.43
PTGS2 P35354 3/20 0.42
FGFR1 P11362 3/20 0.42
FGFR2 P21802 3/20 0.42
FGFR4 P22455 3/20 0.42
FGFR3 P22607 3/20 0.42
TP53 P04637 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
SCHEMBL15014068 0.90 PDE4B (0.50) PDE4BMAPTLMNAGAATDP1
SCHEMBL20121190 0.90 PDE4B (0.54) PDE4BMAPTLMNAGAATDP1
SCHEMBL7258464 0.84 PDE4B (0.54) PDE4BMAPTLMNAGAATDP1
SCHEMBL28257026 0.84 PDE4B (0.54) PDE4BMAPTLMNAGAATDP1
SCHEMBL9695242 0.81 MAPT (0.61) PDE4BMAPTLMNAGAATDP1
SCHEMBL15730042 0.81 MAPT (0.61) PDE4BMAPTLMNAGAATDP1
SCHEMBL516326 0.80 PDE4B (0.54) PDE4BMAPTLMNAGAATDP1
SCHEMBL18077378 0.78 HPGD (0.54) PDE4BMAPTLMNATDP1HTT
SCHEMBL12890533 0.78 HPGD (0.54) PDE4BMAPTLMNATDP1HTT
SCHEMBL14407362 0.78 HPGD (0.54) PDE4BMAPTLMNATDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE4B 2885/4885MAPT 3256/4885LMNA 4314/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 PDE4B 2885/4885MAPT 3256/4885LMNA 4314/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 PDE4B 2885/4885MAPT 3256/4885LMNA 4314/4885

“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.