SCHEMBL3192805

SCHEMBL3192805

O=C1C2C3C=CC(CC3)C2C(=O)N1c1cccc2cnccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
ESR2 Q92731 1/20 0.51
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.46
USP2 O75604 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 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
SCHEMBL3192798 1.00 TSHR (0.51) TSHRESR2ALDH1A1POLBUSP2
SCHEMBL3197889 0.92 TSHR (0.61) TSHRESR2ALDH1A1USP2KDM4E
SCHEMBL3192474 0.92 TSHR (0.61) TSHRESR2ALDH1A1USP2KDM4E
SCHEMBL6746135 0.83 TSHR (0.41) TSHRESR2ALDH1A1KDM4ELMNA
SCHEMBL3188136 0.83 TSHR (0.41) TSHRESR2ALDH1A1KDM4ELMNA
SCHEMBL5922917 0.83 TSHR (0.41) TSHRESR2ALDH1A1KDM4ELMNA
SCHEMBL3187341 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ELMNACYP1A2CYP3A4
SCHEMBL5922826 0.78 ALDH1A1 (0.41) TSHRESR2ALDH1A1L3MBTL1KDM4E
SCHEMBL3194600 0.78 ALDH1A1 (0.41) TSHRESR2ALDH1A1L3MBTL1KDM4E
SCHEMBL5922834 0.78 ALDH1A1 (0.41) TSHRESR2ALDH1A1L3MBTL1KDM4E

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-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 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 TSHR 133/4885ESR2 14/4885ALDH1A1 3191/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 TSHR 133/4885ESR2 14/4885ALDH1A1 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.