SCHEMBL20161054

SCHEMBL20161054

O=C1C(c2ccccc2)=C2CCCCC2=C1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
PTGS2 P35354 5/20 0.46
PDE4B Q07343 1/20 0.45
PTGS1 P23219 5/20 0.44
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
CYP1A2 P05177 2/20 0.42
F3 P13726 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
P2RX7 Q99572 1/20 0.41
ABCB11 O95342 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MT-CO2 P00403 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MC4R P32245 1/20 0.40

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
SCHEMBL27874435 0.80 KMT2A (0.46) KMT2APTGS2PTGS1CFTRGOPC
SCHEMBL979579 0.77 PTGS2 (0.54) KMT2APTGS2PTGS1CFTRGOPC
SCHEMBL516326 0.76 PDE4B (0.54) KMT2APDE4BLMNAGAAMAPT
SCHEMBL8653245 0.76 PTGS2 (0.54) KMT2APTGS2CFTRGOPCMAPT
SCHEMBL6632882 0.76 PTGS2 (0.62) KMT2APTGS2PDE4BPTGS1CFTR
SCHEMBL4250744 0.74 PDE4B (0.52) KMT2APTGS2PDE4BLMNAMAPT
SCHEMBL8693759 0.74 PDE4B (0.52) KMT2APTGS2PDE4BLMNAGAA
SCHEMBL8705170 0.74 PTGS2 (0.52) KMT2APTGS2PTGS1CFTRGOPC
SCHEMBL20160837 0.74 PDE4B (0.52) KMT2APTGS2PDE4BLMNAMAPT
SCHEMBL13170491 0.74 PDE4B (0.52) KMT2APTGS2PDE4BLMNAMAPT

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 KMT2A 1624/4885PTGS2 1986/4885PDE4B 2885/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 KMT2A 1624/4885PTGS2 1986/4885PDE4B 2885/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 KMT2A 1624/4885PTGS2 1986/4885PDE4B 2885/4885

“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.