SCHEMBL3693341

SCHEMBL3693341

CC1=Cc2cc3c(c(-c4ccccc4)c2C1)CCC3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
HSD17B10 Q99714 3/20 0.34
FPR1 P21462 1/20 0.34
KDM4E B2RXH2 5/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CES1 P23141 1/20 0.33
MYC P01106 1/20 0.33
MAPK1 P28482 2/20 0.31
LMNA P02545 1/20 0.31
DRD4 P21917 2/20 0.31

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
SCHEMBL29776024 1.00 BRD4 (0.35) BRD4HSD17B10FPR1KDM4EMAPT
SCHEMBL27171024 0.92 HSD17B10 (0.31) BRD4HSD17B10FPR1KDM4EMAPT
SCHEMBL29060473 0.89 MEN1 (0.33) BRD4HSD17B10FPR1MEN1KMT2A
SCHEMBL30827417 0.89 MEN1 (0.33) BRD4HSD17B10FPR1MEN1KMT2A
SCHEMBL29776160 0.84 CES1 (0.33) BRD4MAPTALDH1A1MEN1KMT2A
SCHEMBL20339004 0.84 MEN1 (0.47) BRD4MEN1KMT2ACES1
SCHEMBL2762278 0.83 FGF23 (0.35) KDM4EMEN1KMT2ACES1
SCHEMBL18393497 0.82 KDM4E (0.31) HSD17B10KDM4EMAPTALDH1A1HPGD
SCHEMBL29060400 0.81 ALDH1A1 (0.39) BRD4HSD17B10FPR1KDM4EMAPT
SCHEMBL3698571 0.81 CES1 (0.33) KDM4EMAPTALDH1A1HPGDMEN1

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-1692144-B1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2010-04-14 EP disclosed
US-7452949-B2 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins BASELL POLYOLEFINE GMBH (DE) 2008-11-18 US disclosed
US-20070155919-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins BASELL POLYOLEFINE GMBH (DE) 2007-07-05 US disclosed
EP-1692144-A2 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS Basell Polyolefine GmbH (DE) 2006-08-23 EP disclosed
WO-2005058916-A2 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2005-06-30 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-20070155919-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins SOD1, ORC3, OPRM1 BRD4 1648/4885HSD17B10 3066/4885FPR1 1813/4885

“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.