SCHEMBL4209586

SCHEMBL4209586

CC(C)Oc1ccc(Cl)cc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.47
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
MDM2 Q00987 2/20 0.40
CSNK2A1 P68400 2/20 0.40
RORC P51449 1/20 0.40
ALDH1A3 P47895 1/20 0.39
SLC9A1 P19634 1/20 0.39
GLA P06280 1/20 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
SCHEMBL30933788 1.00 ERN1 (0.47) ERN1TDP1HPGDALDH1A1CYP1A2
SCHEMBL6097515 0.87 ERN1 (0.51) ERN1TDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL14785211 0.86 ERN1 (0.44) ERN1TDP1HPGDALDH1A1CYP1A2
SCHEMBL3936165 0.82 TSHR (0.66) ERN1HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL11870708 0.82 ERN1 (0.41) ERN1TDP1HPGDALDH1A1CYP1A2
SCHEMBL15332582 0.82 TSHR (0.66) ERN1HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL613846 0.82 ERN1 (0.47) ERN1TDP1HPGDALDH1A1TSHR
SCHEMBL30480709 0.82 ERN1 (0.47) ERN1TDP1HPGDALDH1A1TSHR
SCHEMBL16950496 0.82 TSHR (0.41) ERN1HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL340634 0.82 MDM2 (0.40) HPGDALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 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 (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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS ERN1 974/4885TDP1 3143/4885HPGD 1805/4885

“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.