SCHEMBL2884697

SCHEMBL2884697

CC(C)(C)OC(=O)N1C=COc2ccc(C=O)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
ALDH1A3 P47895 4/20 0.33
ALDH3A1 P30838 1/20 0.33
BCHE P06276 1/20 0.33
ALDH1A1 P00352 8/20 0.32
TDP1 Q9NUW8 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NR1H2 P55055 2/20 0.31
PTGS2 P35354 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
GHSR Q92847 1/20 0.31
USP2 O75604 1/20 0.31
AOX1 Q06278 1/20 0.31
TRIM24 O15164 1/20 0.31

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
SCHEMBL2883076 0.81 CYP4F2 (0.35) HDAC1BCHEALDH1A1NR1H2LMNA
SCHEMBL6255939 0.80 BCHE (0.46) HDAC1BCHEALDH1A1SMN1; SMN2LMNA
SCHEMBL12975573 0.79 GSK3B (0.46) NPC1RAB9APTGS2
SCHEMBL2880302 0.79 GSK3B (0.46) NPC1RAB9APTGS2
SCHEMBL30232840 0.75 GPR119 (0.36) BCHE
SCHEMBL30418523 0.71 EGFR (0.45) ALDH1A3ALDH3A1ALDH1A1TDP1HSD17B10
SCHEMBL2878054 0.71 EGFR (0.45) ALDH1A3ALDH3A1ALDH1A1TDP1HSD17B10
SCHEMBL6183885 0.69 EGFR (0.41) ALDH1A3ALDH3A1ALDH1A1TDP1HSD17B10
SCHEMBL28603087 0.68 KDM1A (0.35) HDAC1ALDH1A3BCHEALDH1A1TDP1
SCHEMBL28994417 0.68 POLB (0.40) BCHEMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US disclosed
EP-1549644-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-07-06 EP disclosed
EP-1531813-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
WO-2004007491-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-22 WO disclosed
WO-2004006916-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2004-01-22 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 (3 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX HDAC1 3231/4885ALDH1A3 2555/4885ALDH3A1 2022/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 HDAC1 702/4885ALDH1A3 1561/4885ALDH3A1 3194/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B HDAC1 3274/4885ALDH1A3 2589/4885ALDH3A1 1952/4885

“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.