SCHEMBL2873133

SCHEMBL2873133

Cc1cc(C)c(Oc2ccccc2)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.50
▸ KDM4E B2RXH2 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ MPI P34949 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ GPR55 Q9Y2T6 2/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ LTA4H P09960 2/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ BAX Q07812 1/20 0.41
▸ HPGD P15428 3/20 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
SCHEMBL11583506 0.86 LTA4H (0.48) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL8373513 0.78 MAPT (0.42) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL981249 0.77 TRPA1 (0.45) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL10454874 0.76 KDM4E (0.43) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL2858541 0.76 KDM4E (0.43) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL2861236 0.76 LMNA (0.44) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL14686055 0.76 ALDH1A1 (0.55) PTPN1KDM4EMAPTALDH1A1KMT2A
Diphenylether SCHEMBL22829709 0.76 LTA4H (0.52) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL26464743 0.75 LTA4H (0.47) KMT2AMEN1LTA4H
SCHEMBL11529983 0.75 MEN1 (0.52) PTPN1KMT2AMEN1LMNALTA4H

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-20140243401-A1 METHODS OF SCREENING COMPOUNDS THAT ARE CYTOTOXIC TO TUMOR CELLS AND METHODS OF TREATING TUMOR CELLS USING SUCH COMPOUND THE JOHNS HOPKINS UNIVERSITY (US) 2014-08-28 — — US disclosed
EP-2655706-A2 METHODS OF SCREENING COMPOUNDS THAT ARE CYTOTOXIC TO TUMOR CELLS AND METHODS OF TREATING TUMOR CELLS USING SUCH COMPOUND Ronnett, Gabrielle (US) 2013-10-30 — — EP disclosed
WO-2012071562-A2 METHODS OF SCREENING COMPOUNDS THAT ARE CYTOTOXIC TO TUMOR CELLS AND METHODS OF TREATING TUMOR CELLS USING SUCH COMPOUND RONNETT GABRIELLE (US) 2012-05-31 — — WO disclosed
US-7687547-B2 Diphenyl ether antimicrobial compounds RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-03-30 — — US disclosed
US-20060041025-A1 5-Alkyl (4-26 carbon atoms)-2-phenoxyphenols; enoyl reductase enzyme inhibitor; drug resistance; side-effect reduction; nicrobiocides; carriers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-23 — — US 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-20060041025-A1 5-Alkyl (4-26 carbon atoms)-2-phenoxyphenols; enoyl reductase enzyme inhibitor; drug resistance; side-effect reduction; nicrobiocides; carriers CBR1, CBR3, FAR1 PTPN1 1666/4885KDM4E 700/4885MAPT 4825/4885

“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.

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