SCHEMBL1254053

SCHEMBL1254053

O=C1SCCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.63
▸ CES1 P23141 2/20 0.58
▸ MAOA P21397 3/20 0.47
▸ MAOB P27338 3/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ FOLH1 Q04609 1/20 0.45
▸ PDPK1 O15530 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ PARP11 Q9NR21 1/20 0.44
▸ S100A4 P26447 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40

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
SCHEMBL5845169 0.77 ACHE (1.00) ACHECES1MAOAMAOBCYP2A6
SCHEMBL13932284 0.74 CES1 (0.46) ACHECES1MAOAMAOBCYP2A6
SCHEMBL29408351 0.74 CES1 (0.90) CES1MAOAMAOBCYP2A6PDPK1
SCHEMBL13712393 0.74 CES1 (1.00) CES1MAOAMAOBCYP2A6PDPK1
SCHEMBL44496 0.74 CES1 (0.90) CES1MAOAMAOBCYP2A6PDPK1
SCHEMBL29437756 0.74 CES1 (0.90) CES1MAOAMAOBCYP2A6PDPK1
SCHEMBL14450713 0.74 SIGMAR1 (0.41) ACHECES1MAOAMAOBFOLH1
SCHEMBL14450714 0.72 SIGMAR1 (0.39) ACHEMAOAMAOBFOLH1ALDH1A1
SCHEMBL5258883 0.71 ACHE (0.59) ACHECES1MAOAMAOBCYP2A6
SCHEMBL4872563 0.71 CES1 (0.54) ACHECES1MAOAMAOBCYP2A6

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 160 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893129-B2 Stable, cationically polymerizable/crosslinkable dental compositions BLUESTAR SILICONES FRANCE SAS (FR) 2011-02-22 — — US claimed
US-7893130-B2 Photocurable dental composition BLUESTAR SILICONES FRANCE SAS (FR) 2011-02-22 — — US claimed
EP-1660019-B1 POLYMERIZABLE DENTAL COMPOSITION HAVING A HIGH CONTENT OF LOADING MATERIAL BLUESTAR SILICONES FRANCE (FR) 2010-07-14 — — EP claimed
US-7744772-B2 Cross-linkable composition for a battery electrolyte RHODIA CHIMIE (FR) 2010-06-29 — — US claimed
US-7740482-B2 Stable cationically crosslinkable/polymerizable dental composition with a high filler content BLUESTAR SILICONES FRANCE (FR) 2010-06-22 — — US claimed
EP-1609205-B1 SETTING COMPOSITION FOR A BATTERY ELECTROLYTE RHODIA CHIMIE SA (FR) 2010-04-28 — — EP claimed
EP-1745083-B1 HIGHLY-CHARGED STABLE DENTAL COMPOSITION WHICH MAY BE CROSS-LINKED/POLYMERISED BY CATIONIC REACTION BLUESTAR SILICONES FRANCE (FR) 2009-12-16 — — EP claimed
US-20090258961-A1 STABLE, CATIONICALLY POLYMERIZABLE/CROSSLINKABLE DENTAL COMPOSITIONS BLUESTAR SILICONES FRANCE SAS 2009-10-15 — — US claimed
EP-1744719-B1 PHOTOPOLYMERISABLE DENTAL COMPOSITION BLUESTAR SILICONES FRANCE (FR) 2009-03-25 — — EP claimed
US-20080287562-A1 Stable cationically crosslinkable/polymerizable dental composition with a high filler content RHODIA CHIMIE (FR) 2008-11-20 — — US claimed
EP-0918830-A1 RELEASE COMPOSITION RHONE-POULENC INC. (US) 1999-06-02 — — EP claimed
US-5866261-A CURABLE EPOXYPOLYSILOXANE RHODIA INC. (US) 1999-02-02 — — US claimed
EP-0886667-A1 INITIATORS FOR THE CATIONIC CROSSLINKING OF POLYMERS CONTAINING ORGANOFUNCTIONAL GROUPS RHODIA CHIMIE (FR) 1998-12-30 — — EP claimed
WO-1998028376-A1 RELEASE COMPOSITION RHONE-POULENC INC. (US) 1998-07-02 — — WO claimed
US-5703137-A POLYORGANOSILOXANES RHONE-POULENC CHIMIE (FR) 1997-12-30 — — US claimed
US-5693688-A AN ONIUM SALT RHONE-POULENC CHIMIE (FR) 1997-12-02 — — US claimed
WO-1997033938-A1 INITIATORS FOR THE CATIONIC CROSSLINKING OF POLYMERS CONTAINING ORGANOFUNCTIONAL GROUPS RHODIA CHIMIE (US) 1997-09-18 — — WO claimed
US-5668192-A POLYMERIZATION CATALYSTS RHONE-POULENC CHIMIE (FR) 1997-09-16 — — US claimed
EP-0562922-B1 Cross-linkable, functional groups containing polysiloxanes and their use for making anti-adhesive coatings RHONE POULENC CHIMIE (FR) 1997-05-21 — — EP claimed
US-5340898-A A mixtures comprising an ionic onium borate photoinitiators; nontoxic RHONE-POULENC CHIMIE (FR) 1994-08-23 — — US claimed

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-20080287562-A1 Stable cationically crosslinkable/polymerizable dental composition with a high filler content RFC1, RFC2, HNRNPC ACHE 3449/4885CES1 3775/4885MAOA 1576/4885

“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.

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