SCHEMBL1024342

SCHEMBL1024342

CC1=Cc2c(c(C)c(C)c(C)c2-c2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
KIF11 P52732 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR1D P28221 1/20 0.31
ADRA1A P35348 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL30288212 0.79 FGF23 (0.35) TSHRKIF11KDM4E
SCHEMBL31451213 0.79 FGF23 (0.35) TSHRKIF11KDM4E
SCHEMBL4191158 0.76 TSHR (0.32) TSHRKIF11
SCHEMBL690593 0.74 TSHR (0.36) TSHRKIF11KDM4EALDH1A1POLB
SCHEMBL4191656 0.73 TSHR (0.32) TSHRKIF11KDM4E
SCHEMBL1024476 0.72 TSHR (0.34) TSHRKIF11HTR1DADRA1ANISCH
SCHEMBL5718232 0.72 HTR1D (0.37) TSHRKIF11KDM4EALDH1A1POLB
SCHEMBL5718215 0.71 ALDH1A1 (0.34) TSHRKIF11KDM4EALDH1A1POLB
SCHEMBL22776383 0.69 FGF23 (0.32) KDM4E
SCHEMBL29595700 0.69 FGF23 (0.32) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455938-B1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2011-01-12 EP disclosed
US-7109278-B2 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins BASELL POLYOLEFINE GMBH (DE) 2006-09-19 US disclosed
US-20040260107-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins EQUISTAR CHEMICALS, LP 2004-12-23 US disclosed
EP-1455938-A1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS Basell Polyolefine GmbH (DE) 2004-09-15 EP disclosed
WO-2003045551-A1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2003-06-05 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-20040260107-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins SOD1, SCO2, SOD3 TSHR 480/4885KIF11 3740/4885KDM4E 4117/4885

“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.