SCHEMBL3194899

SCHEMBL3194899

CC(C)=C1C2C=CC1C1C(=O)N(c3cccc(Cl)c3C)C(=O)C21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 2/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 2/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.43
HCAR1 Q9BXC0 1/20 0.41
PMM2 O15305 1/20 0.39
MPI P34949 1/20 0.39
PHOSPHO1 Q8TCT1 1/20 0.39
POLB P06746 2/20 0.38

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
SCHEMBL3496114 0.73 L3MBTL1 (0.65) MEN1KMT2AMAPTGAAALOX15
SCHEMBL3196483 0.71 GAA (0.48) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL9172497 0.69 MGLL (0.66) ALDH1A1MAPTPKMGAAALOX15
SCHEMBL11608927 0.69 RECQL (0.50) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL30758612 0.66 KMT2A (0.58) MEN1KMT2ACYP3A4GAAALOX15
SCHEMBL13665449 0.66 KMT2A (0.58) MEN1KMT2ACYP3A4GAAALOX15
SCHEMBL11165397 0.66 GAA (0.47) MEN1KMT2AALDH1A1HTTTSHR
SCHEMBL8662630 0.65 GAA (0.43) MEN1KMT2AMAPTGAAALOX15
SCHEMBL11561782 0.63 CES1 (0.53) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL11563108 0.62 HPGD (0.54) MEN1KMT2AMAPTGAAALOX15

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-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US claimed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 US claimed
US-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-05-06 US claimed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 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-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 MEN1 1676/4885KMT2A 1756/4885ALDH1A1 3191/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 MEN1 1676/4885KMT2A 1756/4885ALDH1A1 3191/4885

“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.