SCHEMBL20161021

SCHEMBL20161021

Cc1cc(C)cc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3cc(C)cc(C)c3)c(-c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc3)c2-c2ccc(Cl)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.38
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TNKS O95271 1/20 0.33
USP14 P54578 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MAPT P10636 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A2 P05177 1/20 0.32
MDM2 Q00987 1/20 0.32

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
SCHEMBL20161080 0.84 LIPG (0.40)
SCHEMBL20161027 0.84 KDM4E (0.46) KDM4EGLAATML3MBTL1MGAM
SCHEMBL15451817 0.82 KDM4E (0.42) AHRKDM4EATML3MBTL1TNKS
SCHEMBL17245952 0.82 KDM4E (0.46) AHRCA1CA2KDM4EATM
SCHEMBL15681167 0.82 MAOA (0.36) AHRKDM4EATML3MBTL1TNKS
SCHEMBL22143454 0.81 RXFP1 (0.33) MAPT
SCHEMBL17245964 0.80 KDM4E (0.44) AHRCA1CA2KDM4EATM
SCHEMBL24174411 0.80 KDM4E (0.44) AHRKDM4EGLAATML3MBTL1
SCHEMBL24676476 0.80 KDM4E (0.44) AHRKDM4EGLAATML3MBTL1
SCHEMBL24676177 0.80 KDM4E (0.44) AHRKDM4EGLAATML3MBTL1

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 AHR 1578/4885CA1 4761/4885CA2 4739/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 AHR 1578/4885CA1 4761/4885CA2 4739/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 AHR 1578/4885CA1 4761/4885CA2 4739/4885

“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.