SCHEMBL4478459

SCHEMBL4478459

Cc1cc(-c2ccc(C(C)(C)C)cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.50
TSHR P16473 1/20 0.43
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
XDH P47989 1/20 0.37
LMNA P02545 2/20 0.37
TYR P14679 1/20 0.37
MITF O75030 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL14198883 0.79 ALDH1A1 (0.41) AKR1C2AKR1C1ALDH1A1KDM4EMAPT
SCHEMBL28254058 0.78 TSHR (0.52) KIF11TSHRALDH1A1MAPTHPGD
SCHEMBL4244577 0.78 DAO (0.44) ALDH1A1KDM4EHPGDAPOBEC3GTDP1
SCHEMBL5735236 0.76 KIF11 (0.46) KIF11TSHRAKR1C2AKR1C1ALDH1A1
SCHEMBL18869535 0.75 ALAD (0.52) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL13802803 0.75 ALAD (0.52) TSHRALDH1A1MAPTPOLBNPC1
SCHEMBL3423876 0.75 KIF11 (0.70) KIF11TSHRALDH1A1KDM4EMAPT
SCHEMBL26915 0.75 KIF11 (0.70) KIF11TSHRALDH1A1KDM4EMAPT
SCHEMBL27961806 0.74 HSD17B2 (0.54) KIF11
SCHEMBL883778 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHPGDNPC1

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 14 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
EP-1387827-A2 SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES Basell Polyolefine GmbH (DE) 2004-02-11 EP disclosed
WO-2002092564-A2 SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2002-11-21 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-20040236115-A1 Synthesis of cyclopentadiene derivatives CYCS, DHPS, CBR1 KIF11 1495/4885TSHR 4645/4885AKR1C2 324/4885
US-20080287692-A1 Synthesis of cyclopentadiene derivatives CYCS, CYC1, CBR1 KIF11 4271/4885TSHR 1110/4885AKR1C2 85/4885

“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.