SCHEMBL1307935

SCHEMBL1307935

COc1cc(Br)cc(C2OCCCO2)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
PTPN1 P18031 1/20 0.37
ACHE P22303 1/20 0.37
ERN1 O75460 1/20 0.36
FAAH O00519 1/20 0.36
CNR2 P34972 1/20 0.36
PTAFR P25105 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 3/20 0.35
CA6 P23280 3/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TUBB4A P04350 1/20 0.34

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
SCHEMBL3686228 0.79 KMT2A (0.45) KDM4EMAPTMEN1KMT2ACYP2C19
SCHEMBL13414990 0.75 ACHE (0.54) PTPN1ACHEPTAFRKDM4EMAPT
SCHEMBL31055901 0.74 FAAH (0.48) FAAHCNR2KDM4EMAPTMEN1
SCHEMBL6070144 0.74 EGFR (0.40) PTPN1ACHEPTAFRALDH1A1
SCHEMBL18555663 0.74 KDM4E (0.41) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL1704526 0.72 NPC1 (0.39) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL1670216 0.72 MEN1 (0.47) ALOX15KDM4EMEN1KMT2ACYP2C19
SCHEMBL4869367 0.71 CNR2 (0.36) CNR2MAPTKMT2AALDH1A1TUBB4A
SCHEMBL429756 0.71 ACHE (0.59) ALOX15ALOX12ACHEERN1PTAFR
SCHEMBL15313667 0.70 CA2 (0.42) PTPN1ACHECA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066632-B1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARM CORP (KR) 2013-09-04 EP disclosed
US-8053439-B2 Benzophenone derivatives useful for inhibiting formation of microtubule CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2011-11-08 US disclosed
US-20090275575-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2009-11-05 US disclosed
EP-2066632-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE Chong Kun Dang Pharmaceutical Corp. (KR) 2009-06-10 EP disclosed
WO-2008038955-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-04-03 WO disclosed
US-7319101-B2 COMT inhibitors for the treatment of depression and impaired cognition HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
EP-1697394-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1697394-A2 COMT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-06 EP disclosed
WO-2005058228-A2 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition F. HOFFMANN-LA ROCHE AG (CH) 2005-06-23 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 (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-20090275575-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE TUBB1, TUBA1C, TUBB6 ALOX15 4297/4885ALOX12 4632/4885PTPN1 2954/4885
US-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition COMT, MAOB, TPH1 ALOX15 723/4885ALOX12 935/4885PTPN1 2629/4885

“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.