SCHEMBL6436713

SCHEMBL6436713

Cc1ccc(C)c(Oc2ccccc2C(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
P2RX3 P56373 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44
HTR2A P28223 1/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LPAR1 Q92633 3/20 0.43
MAOA P21397 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.41

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
SCHEMBL25141195 0.83 P2RX3 (0.50) SLC6A4SLC6A2SLC6A3P2RX3P2RX2
SCHEMBL5608705 0.81 TSHR (0.50) SLC6A4SLC6A2SLC6A3TSHRSMN1; SMN2
SCHEMBL4575432 0.81 P2RX3 (0.58) SLC6A4SLC6A2SLC6A3P2RX3P2RX2
SCHEMBL29959656 0.81 P2RX3 (0.58) SLC6A4SLC6A2SLC6A3P2RX3P2RX2
SCHEMBL29640497 0.79 LMNA (0.54) SLC6A2TSHRSMN1; SMN2ALDH1A1NPSR1
SCHEMBL11043528 0.79 LMNA (0.54) SLC6A2TSHRSMN1; SMN2ALDH1A1NPSR1
SCHEMBL3278966 0.79 ACHE (0.50) TSHRSMN1; SMN2ALDH1A1TDP1LMNA
SCHEMBL15347792 0.79 TSHR (0.43) SLC6A4HTR2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL29583808 0.77 ALDH1A1 (0.53) SLC6A4SLC6A2P2RX3P2RX2TSHR
SCHEMBL6437015 0.77 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054882-A1 Diaryl ether condensation reactions NSF - DEITR 2005-03-10 US disclosed
US-6762329-B2 EFFECTS OF ACIDIC ACTIVATORS ON ULLMANN-TYPE COUPLINGS INVOLVING ELECTRON-POOR AND/OR RELATIVELY INSOLUBLE SUBSTRATES. MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-13 US disclosed
US-20030088128-A1 Diaryl ether condensation reactions NATIONAL SCIENCE FOUNDATION 2003-05-08 US disclosed
US-6395939-B1 CATALYTIC ETHERIFICATION AND CONDENSATION WITH COPPER CATALYSTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-05-28 US disclosed
WO-1999018057-A1 PREPARATION OF DIARYL ETHER BY CONDENSATION REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1999-04-15 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 (2 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-20050054882-A1 Diaryl ether condensation reactions NSFL1C, DERL1, UBE2M SLC6A4 4648/4885SLC6A2 4467/4885SLC6A3 4737/4885
US-20030088128-A1 Diaryl ether condensation reactions NSFL1C, DERL1, UBE2M SLC6A4 4648/4885SLC6A2 4467/4885SLC6A3 4737/4885

“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.