SCHEMBL4433872

SCHEMBL4433872

COC(=O)C1=Cc2ccccc2C1(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
GPR55 Q9Y2T6 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.38
PDK2 Q15119 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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
SCHEMBL29804951 0.75 KDM4E (0.39) TSHRKMT2AMEN1ALDH1A1KDM4E
SCHEMBL7937884 0.67 MMP2 (0.36) MMP2MMP9
SCHEMBL7617182 0.67 LMNA (0.38) TSHRKMT2AMEN1ALDH1A1HCAR3
SCHEMBL17238252 0.67 ALOX5 (0.52) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL7708886 0.66 TRPA1 (0.39) TSHRKMT2AMEN1ALDH1A1KDM4E
SCHEMBL7712826 0.66 CA12 (0.45) TSHRALDH1A1KDM4EPDK2CA12
SCHEMBL86130 0.61 TSHR (0.41) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL17690492 0.60 CYP1A2 (0.40) TSHRKMT2AMEN1MAPTALDH1A1
Methyl Benzoate SCHEMBL7200 0.60 TSHR (1.00) TSHRKMT2AMEN1MAPTALDH1A1
Methyl Benzoate SCHEMBL1867855 0.60 TSHR (1.00) TSHRKMT2AMEN1MAPTALDH1A1

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-8324401-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US disclosed
US-7592461-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
EP-1973890-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2008-10-01 EP disclosed
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
WO-2007073503-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-28 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-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB1, NR3C1, NR5A1 TSHR 751/4885KMT2A 4241/4885MEN1 3604/4885
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof NFKB1, NR3C1, NR5A1 TSHR 759/4885KMT2A 4002/4885MEN1 3500/4885

“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.