SCHEMBL9906101

SCHEMBL9906101

C=C(C)C(=O)N(CCCCCCC)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.56
PKM P14618 2/20 0.51
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
LIMK1 P53667 1/20 0.47
LIMK2 P53671 1/20 0.47
KCNH2 Q12809 1/20 0.47
LMNA P02545 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
REN P00797 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL25287086 1.00 CNR2 (0.56) CNR2PKMHDAC1HDAC6LIMK1
SCHEMBL21734170 1.00 CNR2 (0.56) CNR2PKMHDAC1HDAC6LIMK1
SCHEMBL20275387 1.00 CNR2 (0.56) CNR2PKMHDAC1HDAC6LIMK1
SCHEMBL31518844 0.99 CNR2 (0.54) CNR2PKMHDAC1HDAC6LIMK1
SCHEMBL28301405 0.94 HDAC6 (0.54) CNR2PKMHDAC1HDAC6LIMK1
SCHEMBL9906098 0.88 LMNA (0.53) LMNARENCA12
SCHEMBL21734171 0.87 KCNH2 (0.52) CNR2KCNH2CA12CA1CA2
SCHEMBL21734169 0.87 KCNH2 (0.52) CNR2KCNH2CA12CA1CA2
SCHEMBL28042133 0.85 CNR2 (0.61) CNR2PKMHDAC1HDAC6LIMK1
SCHEMBL15546987 0.85 CNR2 (0.64) CNR2PKMHDAC1HDAC6LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11857650-B2 Dental composition comprising a dental filler containing a structural filler and silanated glass flakes DENTSPLY SIRONA INC. (US) 2024-01-02 US disclosed
US-11857650-B2 Dental composition comprising a dental filler containing a structural filler and silanated glass flakes DENTSPLY SIRONA INC. (US) 2024-01-02 US disclosed
EP-3518863-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2023-11-15 EP disclosed
US-20220202658-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2022-06-30 US disclosed
US-20220031576-A1 ADDITIVE MANUFACTURING PROCESS DENTSPLY SIRONA INC. (US) 2022-02-03 US disclosed
US-11224557-B2 Dental composition DENTSPLY SIRONA INC (US) 2022-01-18 US disclosed
US-20220000721-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS DENTSPLY SIRONA INC. (US) 2022-01-06 US disclosed
US-11166883-B2 Dental composition DENTSPLY SIRONA INC. (US) 2021-11-09 US disclosed
US-11116702-B2 Dental composition DENTSPLY SIRONA INC. (US) 2021-09-14 US disclosed
US-20210106503-A1 DENTAL IMPRESSION MATERIAL DENTSPLY SIRONA INC. (US) 2021-04-15 US disclosed
US-8198388-B2 One-part self-etching, self-priming dental adhesive composition DENTSPLY INTERNATIONAL INC. (US) 2012-06-12 US disclosed
US-8198388-B2 One-part self-etching, self-priming dental adhesive composition DENTSPLY INTERNATIONAL INC. (US) 2012-06-12 US disclosed
US-20100160485-A1 Hydrolysis stable self-etching, self-priming adhesive KLEE JOACHIM 2010-06-24 US disclosed
US-20100160485-A1 Hydrolysis stable self-etching, self-priming adhesive KLEE JOACHIM 2010-06-24 US disclosed
US-20100022682-A1 Dental adhesive composition KLEE JOACHIM E 2010-01-28 US disclosed
US-20100022682-A1 Dental adhesive composition KLEE JOACHIM E 2010-01-28 US disclosed
US-20090043008-A1 Dental adhesive KLEE JOACHIM E 2009-02-12 US disclosed
US-20090043008-A1 Dental adhesive KLEE JOACHIM E 2009-02-12 US disclosed
US-20070293642-A1 One-Part Self-Etching, Self-Priming Dental Adhesive Composition DENTSPLY DE TREY GMBH (DE) 2007-12-20 US disclosed
US-20070293642-A1 One-Part Self-Etching, Self-Priming Dental Adhesive Composition DENTSPLY DE TREY GMBH (DE) 2007-12-20 US 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 (11 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-11224557-B2 Dental composition GPX4, GPX1, NOXO1 CNR2 4245/4885PKM 4143/4885HDAC1 912/4885
US-20220202658-A1 DENTAL COMPOSITION CAD, PHOSPHO1, PLA2G2C CNR2 3681/4885PKM 1519/4885HDAC1 44/4885
US-20220000721-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS DUOX2, DUOX1, QSOX1 CNR2 2497/4885PKM 4003/4885HDAC1 674/4885
US-20210106503-A1 DENTAL IMPRESSION MATERIAL FHIT, PASK, TAS2R40 CNR2 4222/4885PKM 669/4885HDAC1 551/4885
US-11857650-B2 Dental composition comprising a dental filler containing a structural filler and silanated glass flakes DHX35, DHX30, FLNA CNR2 4851/4885PKM 4383/4885HDAC1 3221/4885
US-11116702-B2 Dental composition MTR, CAD, PAM CNR2 2236/4885PKM 2006/4885HDAC1 3761/4885
US-20100160485-A1 Hydrolysis stable self-etching, self-priming adhesive PPA1, PHOSPHO1, PDAP1 CNR2 4606/4885PKM 4081/4885HDAC1 1644/4885
US-20070293642-A1 One-Part Self-Etching, Self-Priming Dental Adhesive Composition CAD, ASIC1, PDAP1 CNR2 4776/4885PKM 4418/4885HDAC1 2108/4885
US-11166883-B2 Dental composition MSR1, TAS2R3, TAS2R39 CNR2 2554/4885PKM 2427/4885HDAC1 1048/4885
US-20090043008-A1 Dental adhesive H1-0, H1-2, ITGA1 CNR2 4590/4885PKM 4575/4885HDAC1 954/4885
US-20220031576-A1 ADDITIVE MANUFACTURING PROCESS FLNA, FLNB, SAMM50 CNR2 4857/4885PKM 2486/4885HDAC1 4761/4885

“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.