SCHEMBL4493741

SCHEMBL4493741

Cc1cc2c(s1)Cc1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31
ADORA1 P30542 2/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL13183624 0.80 METAP1 (0.43) ALDH1A1NPC1RAB9AHPGDADORA1
SCHEMBL29459210 0.78 ALDH1A1 (0.45) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL40372 0.78 ALDH1A1 (0.45) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Lithium SCHEMBL6552341 0.77 ALDH1A1 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL6552336 0.77 ALDH1A1 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL28338025 0.75 ALDH1A1 (0.42) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL4479100 0.74 CHEK1 (0.42) ALDH1A1NPC1RAB9AHPGDHSD17B10
SCHEMBL33527682 0.74 TSHR (0.46) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL14864794 0.73 ADORA1 (0.50) ALDH1A1RAB9AHPGDADORA1PNMT
SCHEMBL20024355 0.72 ALDH1A1 (0.47) ALDH1A1NPC1PLA2G1BNFKB1CASP3

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 12 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-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
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 1696/4885PLA2G1B 4688/4885
US-20080287692-A1 Synthesis of cyclopentadiene derivatives CYCS, CYC1, CBR1 ALDH1A1 1577/4885NPC1 1621/4885PLA2G1B 586/4885

“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.