SCHEMBL4499402

SCHEMBL4499402

Cc1cc2c(s1)C(=O)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 2/20 0.53
CASP3 P42574 2/20 0.53
RAB9A P51151 2/20 0.53
SENP8 Q96LD8 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP6 Q9GZR1 2/20 0.53
PLA2G1B P04054 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA9 Q16790 6/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 4/20 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
SCHEMBL30552387 0.78 ALDH1A1 (0.80) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL2706394 0.78 ALDH1A1 (0.80) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL9350250 0.78 ALDH1A1 (0.73) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL4495481 0.75 KMT2A (0.46) ALDH1A1NPC1RAB9APLA2G1BATG4B
SCHEMBL29163430 0.75 NPC1 (0.81) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL5724160 0.74 NPC1 (0.88) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL13433263 0.74 NPC1 (0.88) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL4490123 0.74 PTGS2 (0.40) ALDH1A1RAB9ALMNAMAPK1CYP2C19
SCHEMBL10028800 0.74 PTGS2 (0.40) ALDH1A1RAB9ALMNAMAPK1CYP2C19
SCHEMBL867392 0.72 NPC1 (0.96) ALDH1A1NPC1CASP3RAB9ASENP8

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-7635781-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2009-12-22 US disclosed
US-7635781-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2009-12-22 US disclosed
US-20080287692-A1 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2008-11-20 US disclosed
US-20080287692-A1 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2008-11-20 US disclosed
EP-1387827-B1 SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2008-09-24 EP disclosed
EP-1387827-B1 SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2008-09-24 EP disclosed
US-7253292-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2007-08-07 US disclosed
US-7253292-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2007-08-07 US disclosed
US-7253292-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2007-08-07 US disclosed
US-20040236115-A1 Synthesis of cyclopentadiene derivatives EQUISTAR CHEMICALS, LP 2004-11-25 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-20040236115-A1 Synthesis of cyclopentadiene derivatives CYCS, DHPS, CBR1 ALDH1A1 1619/4885NPC1 1696/4885CASP3 576/4885
US-20080287692-A1 Synthesis of cyclopentadiene derivatives CYCS, CYC1, CBR1 ALDH1A1 1577/4885NPC1 1621/4885CASP3 748/4885

“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.