SCHEMBL1022185

SCHEMBL1022185

CCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(C)c2C1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
KIF11 P52732 1/20 0.30
DGAT1 O75907 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
SCHEMBL1024476 0.82 TSHR (0.34) SIGMAR1SMN1; SMN2TSHRNPC1LMNA
SCHEMBL4465934 0.76 BRD4 (0.34) SMN1; SMN2NPC1LMNATP53RAB9A
SCHEMBL4198923 0.74 PTAFR (0.34) SMN1; SMN2KDM4EALDH1A1HPGDHTT
SCHEMBL6231893 0.73 PTAFR (0.37) SMN1; SMN2TSHRNPC1LMNATP53
SCHEMBL690593 0.73 TSHR (0.36) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14645947 0.70 RXRB (0.34)
SCHEMBL27663765 0.67 TSHR (0.36) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL1029393 0.66
SCHEMBL1032918 0.66 TSHR (0.32) SMN1; SMN2TSHRNPC1LMNATP53
SCHEMBL25456880 0.65 KDM4E (0.36) SMN1; SMN2KDM4EALDH1A1HPGDHTT

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 SIGMAR1 417/4885TMEM97 2753/4885SMN1; SMN2 2796/4885

“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.