SCHEMBL6232603

SCHEMBL6232603

CC(C)(C)CCn1c(=O)oc(=O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 5/20 0.41
USP2 O75604 3/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 2/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
PTK2B Q14289 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
PGR P06401 1/20 0.38
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL5263281 0.83 PGR (0.50) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL6687244 0.80 PARK7 (0.42)
SCHEMBL1061987 0.80 PGR (0.60) ALDH1A1NPSR1HPGDPOLBLMNA
SCHEMBL6230810 0.79 ALDH1A1 (0.48) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL6305077 0.79 ALDH1A1 (0.59) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL6233906 0.79 ALDH1A1 (0.43) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL17208787 0.79 TOP2A (0.52) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL5308775 0.79 ALDH1A1 (0.55) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL2453991 0.79 PGR (0.55) ALDH1A1NPSR1HPGDPOLBLMNA
SCHEMBL6236721 0.78 ALDH1A1 (0.67) ALDH1A1NPSR1TSHRMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP claimed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP claimed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO claimed
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
WO-2004052312-A2 ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 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 (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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 ALDH1A1 1494/4885NPSR1 3358/4885TSHR 4433/4885

“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.