SCHEMBL4036698

SCHEMBL4036698

COc1ccc(-c2ccco2)cc1C=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.68
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47
RELA Q04206 1/20 0.47
ADORA2A P29274 2/20 0.44
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42

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
SCHEMBL12767031 0.81 ERN1 (1.00) ERN1
SCHEMBL15225895 0.81 ERN1 (0.62) ERN1SMN1; SMN2MEN1TP53NFKB1
SCHEMBL11634342 0.80 MEN1 (0.66) ERN1SMN1; SMN2MEN1TP53NFKB1
SCHEMBL15226080 0.80 ERN1 (0.52) ERN1SMN1; SMN2MEN1TP53NFKB1
SCHEMBL4041509 0.78 ERN1 (0.56) ERN1ADORA2APIK3R1PIK3CATUBB4A
SCHEMBL1306129 0.77 ERN1 (0.52) ERN1ALDH1A1KDM4ETUBB4ATUBB
SCHEMBL4042640 0.77 ERN1 (0.49) ERN1SMN1; SMN2MEN1TP53NFKB1
SCHEMBL7056395 0.77 IMPDH2 (0.46) ERN1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6927975 0.76 ERN1 (0.70) ERN1PIK3R1PIK3CAKEAP1
SCHEMBL19475516 0.76 ADORA2A (0.56) ERN1SMN1; SMN2MEN1TP53NFKB1

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
EP-2066632-B1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARM CORP (KR) 2013-09-04 EP disclosed
US-20090275575-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2009-11-05 US disclosed
US-7560266-B2 Method to enhance biodegradation of sulfonated aliphatic-aromatic co-polyesters by addition of a microbial consortium E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-14 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
EP-0858444-A4 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-12-01 EP disclosed
EP-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
US-5750549-A ANTIINFLAMMATORY AGENTS OR ANALGESICS MERCK & CO., INC. (US) 1998-05-12 US disclosed
WO-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 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-20090275575-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE TUBB1, TUBA1C, TUBB6 ERN1 2333/4885SMN1; SMN2 1781/4885MEN1 3206/4885

“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.