SCHEMBL564525

SCHEMBL564525

CC(=O)c1ccc(Oc2cccc(C(C)=O)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.70
MAPT P10636 2/20 0.70
HPGD P15428 1/20 0.70
TNKS O95271 1/20 0.64
PARP15 Q460N3 1/20 0.64
PARP14 Q460N5 1/20 0.64
PARP10 Q53GL7 1/20 0.64
TNKS2 Q9H2K2 1/20 0.64
PARP2 Q9UGN5 1/20 0.64
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
AKR1C3 P42330 1/20 0.59
CRHBP P24387 1/20 0.57
HTT P42858 1/20 0.57
CRHR2 Q13324 1/20 0.57
ESRRA P11474 1/20 0.55
HDAC8 Q9BY41 1/20 0.53
MAOB P27338 6/20 0.53
NPC1 O15118 2/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL25620248 0.92 MEN1 (0.71) RAB9AMAPTHPGDTNKSPARP15
SCHEMBL2563940 0.91 AKR1C3 (0.74) RAB9AMAPTHPGDTNKSPARP15
SCHEMBL2350424 0.91 AKR1C3 (0.72) RAB9AMAPTHPGDTNKSPARP15
SCHEMBL13091572 0.90 MAPT (0.61) RAB9AMAPTHPGDTNKSPARP15
SCHEMBL6633526 0.90 PARP10 (0.81) RAB9AMAPTHPGDTNKSPARP15
SCHEMBL8736479 0.89 MAOB (0.63) RAB9AMAPTHPGDTNKSPARP15
SCHEMBL10970400 0.89 MEN1 (0.59) RAB9AMAPTHPGDTNKSPARP15
SCHEMBL25910311 0.89 MAOB (0.63) RAB9AMAPTHPGDTNKSPARP15
SCHEMBL18758803 0.89 MEN1 (0.59) RAB9AMAPTHPGDTNKSPARP15
SCHEMBL11840624 0.88 MAOB (0.64) RAB9AMAPTHPGDTNKSPARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436036-B2 Diaryl ethers JANSSEN R&D IRELAND (IE) 2013-05-07 US disclosed
US-8436036-B2 Diaryl ethers JANSSEN R&D IRELAND (IE) 2013-05-07 US disclosed
US-8436036-B2 Diaryl ethers JANSSEN R&D IRELAND (IE) 2013-05-07 US disclosed
EP-2421855-A1 DIARYL ETHERS Tibotec Pharmaceuticals (IE) 2012-02-29 EP disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 US disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 US disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 US disclosed
WO-2010122162-A1 DIARYL ETHERS TIBOTEC PHARMACEUTICALS (IE) 2010-10-28 WO disclosed
WO-2008099415-A1 NOVEL SUBSTITUTED BIS-1, 2, 4-TRIOXANES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-08-21 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 (1 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-20120034678-A1 Diaryl Ethers SLC10A1, CYP2F1, UGT1A1 RAB9A 674/4885MAPT 2025/4885HPGD 1628/4885

“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.