SCHEMBL3633908

SCHEMBL3633908

CCOC(=O)C1(C(=O)OC(C)(C)C)Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
OPRM1 P35372 5/20 0.43
OPRK1 P41145 4/20 0.42
OPRD1 P41143 3/20 0.42
KCNH2 Q12809 2/20 0.42
SLC22A1 O15245 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7301462 0.89 BRD4 (0.54) BRD4OPRM1OPRK1OPRD1KCNH2
SCHEMBL16836002 0.85 MEN1 (0.36) BRD4OPRM1OPRK1OPRD1KCNH2
SCHEMBL32683822 0.83 EPHX2 (0.39) L3MBTL1MEN1NPC1POLBRAB9A
SCHEMBL11563271 0.82 ALDH1A1 (0.42) LMNAALDH1A1HPGDKDM4EMEN1
SCHEMBL27006578 0.81 POLB (0.38) ALDH1A1TDP1L3MBTL1POLBTSHR
SCHEMBL9770095 0.81 BRD4 (0.50) BRD4OPRM1OPRK1OPRD1KCNH2
SCHEMBL3309675 0.81 BRD4 (0.50) BRD4OPRM1OPRK1OPRD1KCNH2
SCHEMBL260291 0.79 BRD4 (0.43) BRD4OPRM1OPRK1OPRD1KCNH2
SCHEMBL30684883 0.79 BRD4 (0.48) BRD4OPRM1OPRK1OPRD1KCNH2
SCHEMBL9770000 0.78 BRD4 (0.47) BRD4OPRM1OPRK1OPRD1KCNH2

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
US-20170008901-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2017-01-12 US disclosed
CN-101679346-B Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI-AVENTIS (FR) 2014-10-22 CN disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
CN-101679346-A substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI AVENTIS 2010-03-24 CN disclosed
EP-2155711-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS Sanofi-Aventis (FR) 2010-02-24 EP disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 WO disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 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 (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-20170008901-A1 SPIRO-OXAZOLONES AVPR1A, AVPR1B, AVPR2 BRD4 1465/4885OPRM1 33/4885OPRK1 8/4885
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS CXCR5, CXCR1, CCR5 BRD4 704/4885OPRM1 619/4885OPRK1 283/4885

“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.