SCHEMBL6437841

SCHEMBL6437841

Cc1ccc(Oc2ccccc2C(=O)O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
POLB P06746 2/20 0.51
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ESR1 P03372 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
HMGB1 P09429 1/20 0.49
TSHR P16473 1/20 0.49
GGT1 P19440 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
BLM P54132 1/20 0.49
NAPRT Q6XQN6 1/20 0.49
PSEN1 P49768 1/20 0.48

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
SCHEMBL10825614 0.89 HTR2A (0.51) HTTALDH1A1KDM4EPOLBHTR2A
SCHEMBL28940516 0.86 KDM4E (0.51) HTTALDH1A1KDM4EPOLBTDP1
SCHEMBL10897162 0.86 ALDH1A1 (0.51) HTTALDH1A1POLBHTR2ASLC6A4
SCHEMBL8337734 0.84 HTT (0.48) HTTALDH1A1KDM4EPOLBTDP1
SCHEMBL28940646 0.84 HTT (0.48) HTTALDH1A1KDM4EPOLBTDP1
SCHEMBL25815354 0.83 KDM4E (0.50) ALDH1A1KDM4EPOLBHTR2ASLC6A4
SCHEMBL28940652 0.83 HTT (0.53) HTTALDH1A1KDM4EPOLBTDP1
SCHEMBL28411450 0.82 CTNNB1 (0.66) HTTALDH1A1KDM4EPOLBTDP1
SCHEMBL28634306 0.81 POLB (0.61) HTTALDH1A1KDM4EPOLBTDP1
SCHEMBL30775034 0.81 HTT (0.59) HTTALDH1A1KDM4EPOLBTDP1

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-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
US-5770614-A EXCELLENT ACTIVITY OF CONTROLLING PSEUDOCERCOSPORELLA HERPOTRICHOIDES SHIONOGI & CO., LTD. (JP) 1998-06-23 US disclosed
EP-0760363-A1 2-(SUBSTITUTED PHENYL)-2-ALKOXYIMINO-N-ALKYLACETAMIDE COMPOUND AND BACTERICIDE CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1997-03-05 EP 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 HTT 3396/4885ALDH1A1 1863/4885KDM4E 1568/4885
US-20030088128-A1 Diaryl ether condensation reactions NSFL1C, DERL1, UBE2M HTT 3396/4885ALDH1A1 1863/4885KDM4E 1568/4885

“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.